 Entering Gaussian System, Link 0=g16
 Input=09_L-alanine_conformer03_wB97XD_augccpVDZr.in
 Output=09_L-alanine_conformer03_wB97XD_augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            S    9   1.00
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/09_L-alanine/Gau-32395.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/09_L-alanine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32396.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=09_L-alanine_conformer03_wB97XD_augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:21:40 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "09_L-alanine_conformer03_wB97XD_augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.234360000000      1.227627000000      0.493636000000
  C                                                -0.619746000000      0.176499000000     -0.427789000000
  C                                                 0.874662000000      0.040013000000     -0.091045000000
  O                                                 1.684560000000      0.876942000000     -0.381380000000
  N                                                -1.288697000000     -1.120012000000     -0.254191000000
  O                                                 1.182025000000     -1.074891000000      0.583386000000
  H                                                -0.668029000000      0.537376000000     -1.458500000000
  H                                                -2.272687000000      1.417776000000      0.215233000000
  H                                                -1.207375000000      0.889403000000      1.531687000000
  H                                                -0.678004000000      2.159964000000      0.419739000000
  H                                                -2.241749000000     -1.012991000000      0.067124000000
  H                                                -1.305328000000     -1.656641000000     -1.112376000000
  H                                                 0.338033000000     -1.576061000000      0.651570000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     13 NQM=       13 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          14          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           2           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Aug 12 19:21:40 2021, MaxMem=  6442450944 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.234360    1.227627    0.493636
      2          6           0       -0.619746    0.176499   -0.427789
      3          6           0        0.874662    0.040013   -0.091045
      4          8           0        1.684560    0.876942   -0.381380
      5          7           0       -1.288697   -1.120012   -0.254191
      6          8           0        1.182025   -1.074891    0.583386
      7          1           0       -0.668029    0.537376   -1.458500
      8          1           0       -2.272687    1.417776    0.215233
      9          1           0       -1.207375    0.889403    1.531687
     10          1           0       -0.678004    2.159964    0.419739
     11          1           0       -2.241749   -1.012991    0.067124
     12          1           0       -1.305328   -1.656641   -1.112376
     13          1           0        0.338033   -1.576061    0.651570
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526972   0.000000
     3  C    2.490031   1.537947   0.000000
     4  O    3.067365   2.408859   1.200283   0.000000
     5  N    2.464469   1.469208   2.460162   3.583889   0.000000
     6  O    3.338946   2.415539   1.338783   2.234495   2.609222
     7  H    2.146628   1.093128   2.120660   2.609630   2.140683
     8  H    1.091690   2.164823   3.449325   4.038348   2.762058
     9  H    1.092096   2.166353   2.773013   3.467459   2.689558
    10  H    1.088230   2.157737   2.676913   2.805289   3.403729
    11  H    2.493414   2.071405   3.293304   4.380514   1.011437
    12  H    3.302016   2.073423   2.945184   3.986581   1.012289
    13  H    3.218389   2.270203   1.857725   2.982842   1.916934
                    6          7          8          9         10
     6  O    0.000000
     7  H    3.192398   0.000000
     8  H    4.275975   2.480204   0.000000
     9  H    3.235268   3.058764   1.774012   0.000000
    10  H    3.735074   2.482070   1.770785   1.769460   0.000000
    11  H    3.463031   2.684727   2.435472   2.614188   3.554895
    12  H    3.066100   2.310771   3.485738   3.671921   4.160215
    13  H    0.983943   3.151376   3.996162   3.039968   3.878654
                   11         12         13
    11  H    0.000000
    12  H    1.637800   0.000000
    13  H    2.704422   2.412184   0.000000
 Stoichiometry    C3H7NO2
 Framework group  C1[X(C3H7NO2)]
 Deg. of freedom    33
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.61D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.234360    1.227627    0.493636
      2          6           0       -0.619746    0.176499   -0.427789
      3          6           0        0.874662    0.040013   -0.091045
      4          8           0        1.684560    0.876942   -0.381380
      5          7           0       -1.288697   -1.120012   -0.254191
      6          8           0        1.182025   -1.074891    0.583386
      7          1           0       -0.668029    0.537376   -1.458500
      8          1           0       -2.272687    1.417776    0.215233
      9          1           0       -1.207375    0.889403    1.531687
     10          1           0       -0.678004    2.159964    0.419739
     11          1           0       -2.241749   -1.012991    0.067124
     12          1           0       -1.305328   -1.656641   -1.112376
     13          1           0        0.338033   -1.576061    0.651570
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.9962844           3.2162425           2.3194998
 Leave Link  202 at Thu Aug 12 19:21:41 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     12     13
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      6
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  18 primitive shells out of 224 were deleted.
 There are   213 symmetry adapted cartesian basis functions of A   symmetry.
 There are   201 symmetry adapted basis functions of A   symmetry.
   201 basis functions,   366 primitive gaussians,   213 cartesian basis functions
    24 alpha electrons       24 beta electrons
       nuclear repulsion energy       250.8298141574 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   13 NActive=   13 NUniq=   13 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0058687771 Hartrees.
 Nuclear repulsion after empirical dispersion term =      250.8239453803 Hartrees.
 Leave Link  301 at Thu Aug 12 19:21:43 2021, MaxMem=  6442450944 cpu:              13.9 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   201 RedAO= T EigKep=  2.16D-05  NBF=   201
 NBsUse=   201 1.00D-06 EigRej= -1.00D+00 NBFU=   201
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   213   213   213   213   213 MxSgAt=    13 MxSgA2=    13.
 Leave Link  302 at Thu Aug 12 19:21:43 2021, MaxMem=  6442450944 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:21:44 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "09_L-alanine_conformer03_wB97XD_augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:21:44 2021, MaxMem=  6442450944 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442356359 LenY=  6442310549
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -323.696338208186    
 DIIS: error= 1.97D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -323.696338208186     IErMin= 1 ErrMin= 1.97D-03
 ErrMax= 1.97D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.85D-03 BMatP= 4.85D-03
 IDIUse=3 WtCom= 9.80D-01 WtEn= 1.97D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.425 Goal=   None    Shift=    0.000
 GapD=    0.425 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.98D-03 MaxDP=2.34D-01              OVMax= 1.41D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.96D-03    CP:  9.82D-01
 E= -323.700561062531     Delta-E=       -0.004222854345 Rises=F Damp=F
 DIIS: error= 3.81D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -323.700561062531     IErMin= 2 ErrMin= 3.81D-04
 ErrMax= 3.81D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-04 BMatP= 4.85D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.81D-03
 Coeff-Com: -0.426D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.425D-01 0.104D+01
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=1.03D-03 MaxDP=4.71D-02 DE=-4.22D-03 OVMax= 5.01D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.04D-04    CP:  9.78D-01  1.13D+00
 E= -323.700668018287     Delta-E=       -0.000106955756 Rises=F Damp=F
 DIIS: error= 4.95D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -323.700668018287     IErMin= 2 ErrMin= 3.81D-04
 ErrMax= 4.95D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-04 BMatP= 1.21D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.95D-03
 Coeff-Com: -0.476D-01 0.536D+00 0.512D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.473D-01 0.533D+00 0.514D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.29D-04 MaxDP=5.81D-03 DE=-1.07D-04 OVMax= 1.81D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.13D-05    CP:  9.77D-01  1.14D+00  1.10D+00
 E= -323.700747573860     Delta-E=       -0.000079555572 Rises=F Damp=F
 DIIS: error= 5.04D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -323.700747573860     IErMin= 4 ErrMin= 5.04D-05
 ErrMax= 5.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-06 BMatP= 1.15D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.296D-02-0.239D-01 0.774D-01 0.949D+00
 Coeff:     -0.296D-02-0.239D-01 0.774D-01 0.949D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=8.97D-05 MaxDP=4.04D-03 DE=-7.96D-05 OVMax= 7.59D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.82D-05    CP:  9.76D-01  1.15D+00  1.23D+00  1.21D+00
 E= -323.700750543873     Delta-E=       -0.000002970013 Rises=F Damp=F
 DIIS: error= 3.84D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -323.700750543873     IErMin= 5 ErrMin= 3.84D-05
 ErrMax= 3.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.09D-07 BMatP= 2.30D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.315D-02-0.617D-01-0.136D-01 0.459D+00 0.613D+00
 Coeff:      0.315D-02-0.617D-01-0.136D-01 0.459D+00 0.613D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.90D-05 MaxDP=7.87D-04 DE=-2.97D-06 OVMax= 3.13D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.69D-06    CP:  9.76D-01  1.15D+00  1.26D+00  1.29D+00  1.11D+00
 E= -323.700751253788     Delta-E=       -0.000000709915 Rises=F Damp=F
 DIIS: error= 9.78D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -323.700751253788     IErMin= 6 ErrMin= 9.78D-06
 ErrMax= 9.78D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.89D-08 BMatP= 8.09D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.180D-02-0.265D-01-0.137D-01 0.122D+00 0.283D+00 0.633D+00
 Coeff:      0.180D-02-0.265D-01-0.137D-01 0.122D+00 0.283D+00 0.633D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=4.49D-06 MaxDP=1.95D-04 DE=-7.10D-07 OVMax= 8.50D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.63D-06    CP:  9.76D-01  1.15D+00  1.26D+00  1.31D+00  1.17D+00
                    CP:  1.12D+00
 E= -323.700751322024     Delta-E=       -0.000000068236 Rises=F Damp=F
 DIIS: error= 2.51D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -323.700751322024     IErMin= 7 ErrMin= 2.51D-06
 ErrMax= 2.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.59D-09 BMatP= 7.89D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.225D-05 0.247D-02-0.119D-02-0.426D-01-0.189D-01 0.209D+00
 Coeff-Com:  0.852D+00
 Coeff:      0.225D-05 0.247D-02-0.119D-02-0.426D-01-0.189D-01 0.209D+00
 Coeff:      0.852D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.30D-06 MaxDP=6.56D-05 DE=-6.82D-08 OVMax= 4.26D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.17D-06    CP:  9.76D-01  1.15D+00  1.26D+00  1.32D+00  1.20D+00
                    CP:  1.20D+00  1.15D+00
 E= -323.700751331450     Delta-E=       -0.000000009426 Rises=F Damp=F
 DIIS: error= 6.68D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -323.700751331450     IErMin= 8 ErrMin= 6.68D-07
 ErrMax= 6.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.97D-10 BMatP= 6.59D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.103D-03 0.210D-02 0.662D-03-0.166D-01-0.220D-01-0.665D-02
 Coeff-Com:  0.170D+00 0.873D+00
 Coeff:     -0.103D-03 0.210D-02 0.662D-03-0.166D-01-0.220D-01-0.665D-02
 Coeff:      0.170D+00 0.873D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=5.56D-07 MaxDP=1.89D-05 DE=-9.43D-09 OVMax= 9.67D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.71D-07    CP:  9.76D-01  1.15D+00  1.26D+00  1.32D+00  1.20D+00
                    CP:  1.21D+00  1.22D+00  1.21D+00
 E= -323.700751331906     Delta-E=       -0.000000000456 Rises=F Damp=F
 DIIS: error= 2.20D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -323.700751331906     IErMin= 9 ErrMin= 2.20D-07
 ErrMax= 2.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.00D-11 BMatP= 2.97D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.321D-04 0.494D-03 0.286D-03-0.235D-02-0.541D-02-0.190D-01
 Coeff-Com: -0.213D-02 0.293D+00 0.735D+00
 Coeff:     -0.321D-04 0.494D-03 0.286D-03-0.235D-02-0.541D-02-0.190D-01
 Coeff:     -0.213D-02 0.293D+00 0.735D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.45D-07 MaxDP=5.24D-06 DE=-4.56D-10 OVMax= 2.91D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.37D-08    CP:  9.76D-01  1.15D+00  1.26D+00  1.32D+00  1.20D+00
                    CP:  1.21D+00  1.23D+00  1.27D+00  1.03D+00
 E= -323.700751331958     Delta-E=       -0.000000000052 Rises=F Damp=F
 DIIS: error= 7.56D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -323.700751331958     IErMin=10 ErrMin= 7.56D-08
 ErrMax= 7.56D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.48D-12 BMatP= 4.00D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.192D-05-0.103D-03 0.770D-05 0.147D-02 0.136D-02-0.590D-02
 Coeff-Com: -0.220D-01-0.287D-01 0.215D+00 0.839D+00
 Coeff:      0.192D-05-0.103D-03 0.770D-05 0.147D-02 0.136D-02-0.590D-02
 Coeff:     -0.220D-01-0.287D-01 0.215D+00 0.839D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=6.50D-08 MaxDP=2.59D-06 DE=-5.16D-11 OVMax= 9.17D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.75D-08    CP:  9.76D-01  1.15D+00  1.26D+00  1.32D+00  1.20D+00
                    CP:  1.21D+00  1.23D+00  1.29D+00  1.11D+00  1.21D+00
 E= -323.700751331963     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 2.46D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -323.700751331963     IErMin=11 ErrMin= 2.46D-08
 ErrMax= 2.46D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.62D-13 BMatP= 4.48D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.361D-05-0.775D-04-0.299D-04 0.645D-03 0.964D-03-0.315D-03
 Coeff-Com: -0.619D-02-0.332D-01 0.857D-02 0.262D+00 0.768D+00
 Coeff:      0.361D-05-0.775D-04-0.299D-04 0.645D-03 0.964D-03-0.315D-03
 Coeff:     -0.619D-02-0.332D-01 0.857D-02 0.262D+00 0.768D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.40D-08 MaxDP=6.07D-07 DE=-4.89D-12 OVMax= 2.77D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.16D-09    CP:  9.76D-01  1.15D+00  1.26D+00  1.32D+00  1.20D+00
                    CP:  1.20D+00  1.23D+00  1.29D+00  1.12D+00  1.27D+00
                    CP:  1.09D+00
 E= -323.700751331957     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 5.90D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -323.700751331963     IErMin=12 ErrMin= 5.90D-09
 ErrMax= 5.90D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.50D-14 BMatP= 3.62D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.373D-06-0.278D-05-0.630D-05-0.273D-04 0.683D-04 0.387D-03
 Coeff-Com:  0.889D-03-0.335D-02-0.184D-01-0.330D-01 0.132D+00 0.922D+00
 Coeff:      0.373D-06-0.278D-05-0.630D-05-0.273D-04 0.683D-04 0.387D-03
 Coeff:      0.889D-03-0.335D-02-0.184D-01-0.330D-01 0.132D+00 0.922D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=5.33D-09 MaxDP=2.39D-07 DE= 6.25D-12 OVMax= 1.30D-07

 SCF Done:  E(RwB97XD) =  -323.700751332     A.U. after   12 cycles
            NFock= 12  Conv=0.53D-08     -V/T= 2.0061
 KE= 3.217307506183D+02 PE=-1.259092058859D+03 EE= 3.628366115282D+02
 Leave Link  502 at Thu Aug 12 19:22:40 2021, MaxMem=  6442450944 cpu:             444.8 elap:              55.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   201
 NBasis=   201 NAE=    24 NBE=    24 NFC=     0 NFV=     0
 NROrb=    201 NOA=    24 NOB=    24 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.44161473D+02

 Leave Link  801 at Thu Aug 12 19:22:41 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4015 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          13
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.08D-14 8.33D-09 XBig12= 1.00D+00 2.22D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.08D-14 8.33D-09 XBig12= 1.66D-01 6.68D-02.
     11 vectors produced by pass  2 Test12= 7.08D-14 8.33D-09 XBig12= 2.49D-02 2.60D-02.
     11 vectors produced by pass  3 Test12= 7.08D-14 8.33D-09 XBig12= 1.51D-03 8.47D-03.
     11 vectors produced by pass  4 Test12= 7.08D-14 8.33D-09 XBig12= 5.41D-05 1.72D-03.
     11 vectors produced by pass  5 Test12= 7.08D-14 8.33D-09 XBig12= 1.32D-06 1.96D-04.
     11 vectors produced by pass  6 Test12= 7.08D-14 8.33D-09 XBig12= 3.09D-08 2.45D-05.
     11 vectors produced by pass  7 Test12= 7.08D-14 8.33D-09 XBig12= 5.56D-10 3.32D-06.
     11 vectors produced by pass  8 Test12= 7.08D-14 8.33D-09 XBig12= 8.40D-12 3.56D-07.
      7 vectors produced by pass  9 Test12= 7.08D-14 8.33D-09 XBig12= 1.00D-13 3.52D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.24D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.604504D+02
      2  0.223203D+01  0.584483D+02
      3 -0.239743D+00 -0.243643D+01  0.478311D+02
 Isotropic polarizability for W=    0.093368       55.58 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.386847D+02  0.311294D+01 -0.371849D+01
      2   0.194936D+02  0.824356D+01  0.348146D+01
      3   0.191910D+02 -0.113565D+02  0.237035D+00
      4   0.213925D+02 -0.272576D+02 -0.180459D+02
      5  -0.173125D+01 -0.178310D+02 -0.341560D+02
      6  -0.111223D+02  0.424001D+01  0.782779D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.296067D+01 -0.212270D+01 -0.693635D+01
      2   0.156503D+00 -0.590271D+01 -0.174577D+02
      3  -0.622153D+00  0.121681D+02  0.276688D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.214903D+00  0.758554D+00 -0.191843D+02
      2  -0.198724D+01 -0.692363D+01 -0.533470D+02
      3   0.182795D+02  0.467513D+02  0.670873D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.151419D+01  0.337962D+00  0.177653D+01
      2   0.337962D+00  0.113286D+01  0.497938D+00
      3   0.177653D+01  0.497938D+00  0.206164D+00
 OR G Eigenvalues:    -2.6280     0.6178     1.8350  Iso=     0.0584
 Eigenvectors:
   (1)   0.847755  -0.005963  -0.530355
   (2)  -0.341209   0.759418  -0.553950
   (3)   0.406064   0.650575   0.641766
 w=    0.093368 a.u., Optical Rotation Beta=      0.0584 au.
 Molar Mass =     89.0938 grams/mole, [Alpha] ( 4880.0 A) =       36.94 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   20301 ScalPx= 6.86D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20301 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.22D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 4.76D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 2.34D-02 2.88D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 5.50D-04 3.72D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 5.59D-06 3.06D-04.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 6.90D-08 3.27D-05.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 5.86D-10 2.66D-06.
     30 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 3.63D-12 1.86D-07.
     23 vectors produced by pass  7 Test12= 1.18D-14 2.78D-09 XBig12= 2.06D-14 1.55D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   233 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20301 ScalPx= 2.28D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20301 ScalPx= 2.28D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20301 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.41D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.604504D+02  0.223203D+01 -0.239743D+00
      2   0.223203D+01  0.584483D+02 -0.243643D+01
      3  -0.239743D+00 -0.243643D+01  0.478311D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.296067D+01 -0.212270D+01 -0.693635D+01
      2   0.156503D+00 -0.590271D+01 -0.174577D+02
      3  -0.622153D+00  0.121681D+02  0.276688D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.386847D+02  0.311294D+01 -0.371849D+01
      2   0.194936D+02  0.824356D+01  0.348146D+01
      3   0.191910D+02 -0.113565D+02  0.237035D+00
      4   0.213925D+02 -0.272576D+02 -0.180459D+02
      5  -0.173125D+01 -0.178310D+02 -0.341560D+02
      6  -0.111223D+02  0.424001D+01  0.782779D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.622633D+01 -0.223269D+01  0.164946D+01 -0.804728D+00 -0.336429D+01
      2  -0.223269D+01 -0.354780D+01 -0.970289D+00 -0.336429D+01 -0.252966D+01
      3   0.164946D+01 -0.970289D+00 -0.547295D+00 -0.117493D+01  0.111484D+01
                 6             7             8             9            10 
      1  -0.117493D+01  0.332415D+01 -0.144959D+01 -0.380173D+00 -0.361970D+01
      2   0.111484D+01 -0.144959D+01  0.163904D+01  0.229762D+01  0.603221D+00
      3   0.273955D+01 -0.380173D+00  0.229762D+01 -0.543219D+01 -0.101818D+01
                11            12            13            14            15 
      1   0.603221D+00 -0.101818D+01 -0.194223D+00  0.281256D+01  0.160698D+01
      2   0.288379D+01  0.773882D+00  0.281256D+01  0.108082D+01 -0.568471D-01
      3   0.773882D+00  0.609756D+00  0.160698D+01 -0.568471D-01 -0.286524D+01
                16            17            18            19            20 
      1  -0.264704D+01  0.976867D+00  0.359792D+00  0.647215D+00 -0.204442D+01
      2   0.976867D+00 -0.394276D+00 -0.361151D+01 -0.204442D+01 -0.237471D+01
      3   0.359792D+00 -0.361151D+01  0.538956D+01  0.179321D+01  0.100915D+01
                21            22            23            24            25 
      1   0.179321D+01 -0.398424D+01 -0.316443D+01  0.103280D+01  0.261291D+01
      2   0.100915D+01 -0.316443D+01 -0.161216D+01 -0.640031D-01  0.129831D+01
      3  -0.187706D+00  0.103280D+01 -0.640031D-01 -0.138891D+00 -0.345086D+00
                26            27            28            29            30 
      1   0.129831D+01 -0.345086D+00  0.873064D+01  0.403042D+01 -0.207496D+01
      2  -0.324932D+00  0.528192D+00  0.403042D+01  0.361732D+01 -0.949231D+00
      3   0.528192D+00 -0.585380D+00 -0.207496D+01 -0.949231D+00  0.183482D+01
                31            32            33            34            35 
      1   0.478896D+01  0.370854D+01 -0.683052D+00 -0.190416D+01 -0.530717D+00
      2   0.370854D+01  0.700624D+01 -0.114035D+01 -0.530717D+00 -0.832569D+00
      3  -0.683052D+00 -0.114035D+01  0.193825D+01  0.282488D+01  0.210410D+01
                36            37            38            39            40 
      1   0.282488D+01  0.496180D+01 -0.513299D+00 -0.720285D+00 -0.940016D+00
      2   0.210410D+01 -0.513299D+00 -0.112938D+01  0.555534D+00 -0.121911D+01
      3  -0.228839D+01 -0.720285D+00  0.555534D+00 -0.273748D+00  0.211564D+00
                41            42            43            44            45 
      1  -0.121911D+01  0.211564D+00 -0.848219D+00  0.825571D+00 -0.131922D+00
      2  -0.302941D+01  0.121583D+01  0.825571D+00  0.307742D+01  0.237937D+01
      3   0.121583D+01  0.220551D+01 -0.131922D+00  0.237937D+01  0.233303D+01
                46            47            48            49            50 
      1   0.627876D+01 -0.838489D+00  0.180937D+01  0.197839D+01  0.283401D+01
      2  -0.838489D+00  0.308028D+01 -0.986474D+00  0.283401D+01 -0.349228D+01
      3   0.180937D+01 -0.986474D+00  0.119356D+01 -0.157861D+00  0.732596D+00
                51            52            53            54            55 
      1  -0.157861D+00  0.319129D+00 -0.103249D+01  0.102736D+01  0.404319D-01
      2   0.732596D+00 -0.103249D+01  0.950649D+00 -0.173898D+01  0.333595D+00
      3  -0.650951D+00  0.102736D+01 -0.173898D+01  0.257223D+01 -0.957585D+00
                56            57            58            59            60 
      1   0.333595D+00 -0.957585D+00  0.614148D+00 -0.545766D+00 -0.138655D+00
      2  -0.552158D+00 -0.138765D+00 -0.545766D+00  0.172214D+01 -0.153163D+01
      3  -0.138765D+00 -0.431275D+00 -0.138655D+00 -0.153163D+01  0.218848D+01
                61            62            63            64            65 
      1  -0.120715D+01 -0.184549D+00 -0.297708D+00 -0.924048D+01  0.260510D+01
      2  -0.184549D+00 -0.224793D+01  0.218130D+01  0.260510D+01 -0.199958D+01
      3  -0.297708D+00  0.218130D+01 -0.800379D+01 -0.655790D+00  0.372583D-01
                66            67            68            69            70 
      1  -0.655790D+00  0.128987D+01 -0.121305D+01  0.250075D+00 -0.209568D+01
      2   0.372583D-01 -0.121305D+01  0.146986D+01 -0.293008D+00  0.578926D+00
      3  -0.139052D+01  0.250075D+00 -0.293008D+00  0.188975D-01 -0.107123D+01
                71            72            73            74            75 
      1   0.578926D+00 -0.107123D+01 -0.676346D+00  0.127563D+00  0.724424D+00
      2  -0.915222D+00  0.770997D-01  0.127563D+00  0.439349D+00  0.176671D+00
      3   0.770997D-01 -0.154702D+00  0.724424D+00  0.176671D+00  0.163144D+00
                76            77            78            79            80 
      1  -0.460159D+00  0.314438D+00  0.399769D+00  0.122467D+01 -0.653960D-01
      2   0.314438D+00 -0.532263D+00  0.736843D+00 -0.653960D-01  0.157728D+01
      3   0.399769D+00  0.736843D+00 -0.198707D+01 -0.740784D+00 -0.247939D+00
                81            82            83            84            85 
      1  -0.740784D+00  0.100954D+01  0.134219D+01 -0.130227D+00  0.179636D+01
      2  -0.247939D+00  0.134219D+01  0.306233D+01  0.444307D+00  0.162989D+01
      3   0.809220D+01 -0.130227D+00  0.444307D+00  0.828463D+00  0.676365D-01
                86            87            88            89            90 
      1   0.162989D+01  0.676365D-01 -0.371070D+00  0.258092D+00  0.304901D+00
      2   0.729253D+01  0.349889D+00  0.258092D+00 -0.370714D+00  0.694626D+00
      3   0.349889D+00  0.947480D+00  0.304901D+00  0.694626D+00  0.471437D+00
                91            92            93            94            95 
      1  -0.898896D+01 -0.151606D+01  0.105315D+01 -0.172049D+00 -0.576222D+00
      2  -0.151606D+01 -0.168398D+01 -0.205921D+00 -0.576222D+00 -0.224889D+00
      3   0.105315D+01 -0.205921D+00 -0.132156D+01 -0.351693D+00  0.157911D+00
                96            97            98            99           100 
      1  -0.351693D+00  0.281982D+01  0.380519D-01 -0.747667D+00 -0.429963D+00
      2   0.157911D+00  0.380519D-01  0.615440D+00 -0.303073D+00 -0.718459D+00
      3  -0.394470D-01 -0.747667D+00 -0.303073D+00  0.588973D+00 -0.504521D+00
               101           102           103           104           105 
      1  -0.718459D+00 -0.504521D+00 -0.112255D+01 -0.878608D+00 -0.765606D+00
      2  -0.213974D+00 -0.354309D+00 -0.878608D+00 -0.366791D+01 -0.219818D+01
      3  -0.354309D+00  0.229523D+00 -0.765606D+00 -0.219818D+01 -0.308900D+01
               106           107           108           109           110 
      1  -0.127900D+01 -0.865861D+00 -0.778643D+00 -0.493926D+01 -0.117868D+01
      2  -0.865861D+00 -0.370016D+01 -0.347213D+01 -0.117868D+01 -0.158148D+01
      3  -0.778643D+00 -0.347213D+01 -0.432807D+01 -0.968067D+00  0.608181D+00
               111           112           113           114           115 
      1  -0.968067D+00 -0.278977D+01 -0.337968D+00 -0.297038D+00  0.516352D-01
      2   0.608181D+00 -0.337968D+00 -0.348303D+01  0.976119D+00  0.152780D+00
      3  -0.707157D+00 -0.297038D+00  0.976119D+00 -0.126757D+01 -0.237100D-01
               116           117 
      1   0.152780D+00 -0.237100D-01
      2   0.925967D+00 -0.888675D+00
      3  -0.888675D+00  0.134511D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.403230D+01 -0.861979D+00  0.117070D+00  0.751392D+00 -0.496297D+01
      2  -0.552179D+01  0.358514D+01  0.218973D+01  0.351379D+01  0.270583D+00
      3   0.431076D+01 -0.101692D+02  0.964965D+00 -0.430027D+01 -0.104665D+02
                 6             7             8             9            10 
      1  -0.649405D+01 -0.184748D+00 -0.644992D+00  0.909631D+01  0.442723D+00
      2  -0.323468D+01 -0.224494D+01 -0.250803D+01  0.736495D+01 -0.399866D+01
      3  -0.536962D+00  0.152276D+01  0.358040D-01  0.331757D+01 -0.251057D+01
                11            12            13            14            15 
      1  -0.109269D+01  0.164284D+01  0.706582D+00 -0.236853D+01  0.242840D+01
      2   0.189302D+01  0.238816D+01 -0.129443D+01  0.165300D+01  0.106140D+01
      3  -0.204279D+01 -0.230426D+01  0.259481D+01  0.471276D+01 -0.208446D+01
                16            17            18            19            20 
      1  -0.312919D+00  0.486774D+01 -0.578921D+00  0.217900D+01 -0.186394D-01
      2  -0.531753D+01  0.240528D+01 -0.167962D+01  0.426794D+01 -0.311723D+01
      3  -0.911935D+00 -0.345056D+00 -0.172593D+01 -0.237599D+01  0.515906D+01
                21            22            23            24            25 
      1   0.226559D+01 -0.257893D+01  0.784611D+01  0.319917D+01 -0.316682D+01
      2  -0.629059D+01 -0.646038D+01  0.578554D+00 -0.291894D+01 -0.138209D+02
      3   0.120645D+01  0.789474D+01  0.461178D+01  0.144472D+01  0.506870D+01
                26            27            28            29            30 
      1   0.734964D+01 -0.768188D+01 -0.822913D+00 -0.195285D+01 -0.447271D+01
      2   0.132406D+01 -0.156783D+01  0.118704D+01  0.550575D-01  0.893582D+01
      3   0.194057D+00  0.114715D+01  0.176108D+01 -0.109043D+02  0.104197D+01
                31            32            33            34            35 
      1   0.629030D+00 -0.310029D+01 -0.607090D+01  0.151802D+01  0.241999D+01
      2   0.383097D+01 -0.150654D+01  0.455676D+01  0.202468D+01  0.157768D+01
      3   0.178801D+01 -0.106720D+02  0.695281D+00 -0.156075D+01  0.109232D+01
                36            37            38            39            40 
      1   0.200069D+01 -0.206269D+01  0.229728D+01 -0.836424D+00  0.190331D+01
      2  -0.194889D+01  0.145382D+01 -0.143004D+01  0.324329D+01 -0.954249D+00
      3  -0.334481D+01 -0.109539D+02 -0.681239D+01  0.239047D+01  0.488902D+01
                41            42            43            44            45 
      1   0.527080D+01 -0.187587D+01  0.129561D+01  0.828962D+01  0.533315D+01
      2  -0.288930D+01 -0.263857D+01 -0.378445D+01 -0.389866D+01 -0.271859D+01
      3  -0.198625D+01  0.123775D+01  0.339054D+01  0.142209D+01  0.324910D+01
                46            47            48            49            50 
      1   0.290587D+01  0.266565D+01  0.329659D+01  0.313659D+01 -0.103264D+01
      2  -0.652161D+01 -0.246477D+01  0.486880D+01 -0.781576D+00  0.790630D-01
      3  -0.134077D+02 -0.100026D+02 -0.988912D+00 -0.473694D+01  0.661885D+00
                51            52            53            54            55 
      1  -0.394745D+01  0.249763D+01  0.145947D+01  0.342394D+01  0.213284D+00
      2  -0.933614D+00  0.140474D+01 -0.255673D+01  0.376508D+01  0.509882D+00
      3  -0.203841D+01 -0.230477D+01 -0.224785D+00  0.133839D+01  0.121684D+01
                56            57            58            59            60 
      1   0.213328D+00  0.218077D+00 -0.250371D+00 -0.642939D+00 -0.147288D+01
      2  -0.147618D+00  0.558123D+00  0.945363D+00  0.436759D+00 -0.124492D+01
      3  -0.118826D+01  0.995631D-01  0.145060D+01  0.318131D+00 -0.590900D+00
                61            62            63            64            65 
      1   0.748439D+00  0.260609D+01  0.337498D+01  0.138112D+01 -0.520875D+00
      2  -0.287922D+01 -0.151986D+01  0.384285D+01  0.463926D+01 -0.934421D+00
      3  -0.152222D+01 -0.133456D+01  0.433373D+00 -0.873162D+01 -0.283303D+01
                66            67            68            69            70 
      1   0.265354D+01 -0.746311D+00  0.772085D+00 -0.867510D+00  0.141659D+01
      2   0.534125D+01 -0.121702D+01  0.548295D+00 -0.446263D+00  0.104691D+01
      3  -0.128278D+01  0.163462D+01  0.838604D+00 -0.184864D+00 -0.132570D+01
                71            72            73            74            75 
      1   0.568722D+00  0.284511D+00 -0.100392D+01  0.350078D+00  0.115794D+00
      2   0.211600D-01  0.108033D+01 -0.598623D+00 -0.157221D+00  0.176239D+00
      3  -0.131058D+01 -0.146477D+01 -0.770943D+00  0.161618D-01  0.985875D+00
                76            77            78            79            80 
      1   0.775003D-01 -0.221937D+01  0.206419D+01  0.637050D+00  0.452143D+01
      2   0.290157D+00 -0.114362D+01  0.247705D+01 -0.257326D+01  0.857558D+00
      3   0.646701D+00 -0.156921D+00  0.136528D+01  0.138342D+01  0.214423D+01
                81            82            83            84            85 
      1  -0.112320D+02  0.148109D+01  0.993756D+00 -0.206198D+01  0.900215D+00
      2  -0.104770D+02 -0.622460D+00 -0.107564D+01  0.352073D-01 -0.115190D+01
      3  -0.154769D+01  0.534063D+01  0.494678D+01 -0.292042D+00  0.742391D+01
                86            87            88            89            90 
      1   0.339552D+01 -0.336695D+01 -0.677991D+00  0.192102D+00 -0.289258D+00
      2  -0.178970D+01 -0.626115D+00 -0.104773D+01 -0.652396D+00 -0.744219D+00
      3   0.117650D+02  0.507115D+00 -0.853207D+00  0.241200D+00  0.152191D+01
                91            92            93            94            95 
      1   0.314181D+01  0.200171D+00 -0.190524D+01 -0.439888D+00  0.678711D+00
      2  -0.214083D+01 -0.403372D+00  0.430120D+01  0.336001D+00 -0.612749D+00
      3   0.108946D+02 -0.292937D+01 -0.172332D+01 -0.154926D+00  0.111817D+01
                96            97            98            99           100 
      1  -0.185881D+00 -0.889554D+00 -0.769478D-01  0.724898D+00 -0.442064D-01
      2  -0.240840D+00  0.513173D+00  0.415410D+00 -0.149053D+01  0.233839D+00
      3   0.113877D+01 -0.462634D+01  0.180077D+01  0.261914D+00  0.934543D-01
               101           102           103           104           105 
      1  -0.103938D+00  0.362221D+00 -0.144501D+01 -0.214684D+01 -0.531178D+01
      2   0.312578D+00 -0.148881D+00  0.488973D+00  0.280476D+01  0.439104D+01
      3   0.856397D-02 -0.236934D+00  0.180880D+01 -0.362974D+01 -0.144038D+01
               106           107           108           109           110 
      1  -0.135408D+01 -0.272088D+01 -0.664995D+01 -0.377887D+01 -0.216930D+01
      2  -0.947885D+00  0.441625D+01  0.545147D+01  0.699182D+01  0.266661D+01
      3   0.129877D+01 -0.388721D+01 -0.356761D+01  0.140164D+02  0.752447D+01
               111           112           113           114           115 
      1  -0.139535D+01 -0.252375D+01 -0.271734D+00 -0.201611D+01 -0.410268D+00
      2  -0.168073D+01  0.245431D+01  0.157089D+01 -0.202296D+00 -0.259889D+01
      3   0.135687D+01  0.928622D+01  0.400122D+01  0.366572D+00  0.440743D+00
               116           117 
      1   0.394907D+00  0.975661D+00
      2  -0.997842D+00 -0.757555D+00
      3   0.171719D+00  0.381406D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.256378D+02  0.164379D+02 -0.376817D+01  0.150398D+02  0.108260D+02
      2   0.509932D+01 -0.155557D+02  0.544962D+00 -0.137566D+02 -0.149986D+02
      3   0.205385D+02 -0.882186D+00  0.322321D+01 -0.128324D+01  0.417258D+01
      4   0.205700D+02 -0.741315D+00  0.650252D+01  0.433451D+01 -0.494764D+01
      5  -0.339229D+01  0.150014D+01  0.275798D+01  0.209571D+01 -0.557474D+01
      6   0.453677D+01 -0.423698D+01 -0.102593D+01 -0.481749D+01  0.321027D+01
                 6             7             8             9            10 
      1  -0.223782D+01 -0.694679D+01 -0.969311D+00  0.302575D+01  0.807229D+01
      2  -0.145628D+01  0.812704D-01  0.467666D+00  0.141688D+02 -0.413900D+01
      3   0.369410D+01  0.686552D+01  0.501645D+00 -0.171946D+02 -0.393329D+01
      4  -0.473135D+01  0.101648D+02 -0.668957D+01 -0.866523D+01 -0.693832D+00
      5  -0.656924D+01  0.269333D+01 -0.685481D+01  0.124491D+02 -0.329181D+00
      6   0.770978D+01 -0.308796D+01  0.638961D+01 -0.519346D+01 -0.752998D+00
                11            12            13            14            15 
      1   0.268223D+01 -0.387428D+01 -0.635307D+01  0.343770D+01 -0.597032D+01
      2  -0.461783D+01  0.271875D+01  0.361801D+01 -0.385016D+01 -0.945702D+00
      3   0.193559D+01  0.115553D+01  0.273506D+01  0.412469D+00  0.691602D+01
      4  -0.354600D+01 -0.303670D+01 -0.130800D+02 -0.182156D+01  0.106284D+01
      5  -0.143637D+01 -0.460274D+00 -0.608944D+01  0.700707D+00  0.175689D+01
      6   0.398575D+01 -0.273189D+01 -0.226566D+00 -0.207047D+00 -0.121174D+02
                16            17            18            19            20 
      1   0.413287D+01 -0.230102D+01  0.797147D+01 -0.166131D+02 -0.331464D+01
      2   0.958643D+00 -0.716415D+01  0.506240D+01  0.770763D+01 -0.939358D+00
      3  -0.509151D+01  0.946517D+01 -0.130339D+02  0.890546D+01  0.425400D+01
      4  -0.481599D+01  0.572380D+01  0.878583D+01 -0.162399D+02 -0.179572D+02
      5  -0.427847D+00  0.622617D+01 -0.768965D+01  0.615136D+01  0.492015D+01
      6   0.368460D+01 -0.295995D+01  0.745034D+01 -0.433044D+00  0.122266D+00
                21            22            23            24            25 
      1   0.323001D+01 -0.157214D+02 -0.299122D+01 -0.134165D+01  0.455326D+01
      2  -0.186748D+01  0.103246D+02 -0.577232D+01 -0.610198D+01 -0.274590D+01
      3  -0.136253D+01  0.539675D+01  0.876354D+01  0.744362D+01 -0.180736D+01
      4   0.470501D+01 -0.160435D+02 -0.669818D+01 -0.148055D+01  0.825958D+01
      5  -0.117937D+02  0.848060D+01 -0.504764D+00 -0.548085D+01 -0.208933D+01
      6  -0.235355D+01 -0.775230D+00  0.449993D+01 -0.569685D+01  0.100389D+01
                26            27            28            29            30 
      1  -0.144701D+01 -0.585105D+01  0.395980D+02  0.100639D+02 -0.406217D+01
      2   0.589004D+01 -0.559512D+00 -0.202102D+02 -0.183370D+00  0.513418D+01
      3  -0.444302D+01  0.641056D+01 -0.193879D+02 -0.988054D+01 -0.107201D+01
      4  -0.433265D+01 -0.224236D+01  0.261890D+02  0.245508D+02 -0.447616D+01
      5  -0.179052D+00 -0.523918D+00 -0.113792D+02 -0.478174D+01  0.170824D+02
      6   0.461272D+01  0.622720D+01 -0.108702D+01 -0.136793D+01  0.546540D+01
                31            32            33            34            35 
      1   0.138339D+02  0.269902D+01  0.610504D+00 -0.469352D+01  0.941198D+00
      2  -0.348987D+01  0.105639D+02  0.151666D+01  0.414989D+01 -0.871956D-01
      3  -0.103440D+02 -0.132629D+02 -0.212717D+01  0.543626D+00 -0.854003D+00
      4   0.271807D+02  0.272762D+02 -0.412501D+01 -0.398189D+01 -0.298496D+01
      5  -0.456261D+01 -0.486707D+01  0.968080D+01  0.164372D+02  0.802902D+01
      6  -0.251652D+01 -0.236875D+01  0.875577D+01  0.450421D+01  0.698504D+01
                36            37            38            39            40 
      1   0.341401D+01 -0.167403D+02 -0.472650D+01  0.853575D+01  0.112843D+01
      2  -0.670418D+01  0.101945D+02  0.629604D+01 -0.701627D+01  0.225798D+01
      3   0.329017D+01  0.654576D+01 -0.156954D+01 -0.151948D+01 -0.338641D+01
      4   0.870692D+01 -0.814664D+01  0.776548D+01 -0.773571D+00  0.113460D+02
      5  -0.935506D+01  0.550829D+01 -0.263422D+01  0.616960D+01 -0.179818D+01
      6  -0.384237D+01  0.215854D+01 -0.346885D+01  0.180383D+01 -0.973116D+00
                41            42            43            44            45 
      1  -0.437454D+01  0.339717D+01  0.803983D+01  0.263416D+01  0.387063D+01
      2   0.148157D+02 -0.251339D+01 -0.781195D+01 -0.105348D+01 -0.676916D+01
      3  -0.104412D+02 -0.883777D+00 -0.227887D+00 -0.158068D+01  0.289853D+01
      4   0.992080D+01 -0.343378D+01 -0.933766D+00 -0.873844D+01 -0.559518D+01
      5  -0.378206D+01 -0.515224D+01  0.432059D+01 -0.698932D+01 -0.504672D+01
      6  -0.899976D+01  0.278311D+00 -0.154796D+01 -0.586593D+01 -0.117278D+02
                46            47            48            49            50 
      1   0.140935D+02  0.376263D+00 -0.415156D+00  0.411318D+01 -0.527190D+01
      2  -0.769209D+01 -0.475877D+01 -0.244706D+01 -0.695835D+01  0.133140D+02
      3  -0.640140D+01  0.438251D+01  0.286221D+01  0.284517D+01 -0.804213D+01
      4  -0.171796D+02  0.157410D+02 -0.562366D+01  0.107018D+02 -0.154214D+02
      5   0.510769D+01 -0.405196D+01  0.109799D+02 -0.235394D+01  0.436180D+01
      6  -0.336602D+01  0.285099D+01 -0.523765D+01  0.157851D+01 -0.440098D+01
                51            52            53            54            55 
      1   0.303085D+01 -0.180575D+01  0.339851D+01 -0.434363D+01 -0.128377D+00
      2   0.483045D+00  0.695156D-01 -0.236927D+01 -0.470974D+01 -0.230982D+01
      3  -0.351389D+01  0.173624D+01 -0.102923D+01  0.905337D+01  0.243819D+01
      4   0.301044D+01 -0.319702D+01  0.461012D+01 -0.688717D+01 -0.850311D+00
      5  -0.293986D+01  0.933182D+01 -0.581692D+01  0.948971D+01  0.149403D+01
      6   0.101313D+02 -0.363902D+01  0.824194D+01 -0.727531D+01 -0.202756D+01
                56            57            58            59            60 
      1  -0.688898D+00  0.191934D+01  0.108175D+01 -0.589559D+01  0.515206D+01
      2   0.623179D+00 -0.973091D+00 -0.398196D+00  0.170933D+01  0.275733D+00
      3   0.657196D-01 -0.946247D+00 -0.683554D+00  0.418626D+01 -0.542779D+01
      4   0.313922D+01 -0.124368D+01  0.366144D+01 -0.335909D+01  0.222969D+01
      5  -0.141801D+01  0.628545D+01 -0.675529D+00  0.211643D+01 -0.313459D+01
      6  -0.509895D+00  0.214251D+00  0.476538D+00 -0.613779D+01  0.100840D+02
                61            62            63            64            65 
      1  -0.358049D+00  0.527795D+01 -0.174165D+02  0.431590D+02 -0.829121D+01
      2  -0.611849D+00  0.242656D+01 -0.135493D+02 -0.160723D+02 -0.939448D+00
      3   0.969898D+00 -0.770450D+01  0.309658D+02 -0.270866D+02  0.923066D+01
      4  -0.815561D+00  0.356266D+01 -0.385835D+01 -0.307593D+02  0.165469D+02
      5   0.493236D+01 -0.285429D+01  0.107568D+02 -0.114544D+01  0.694112D+00
      6  -0.146892D+01  0.821483D+01 -0.132083D+02 -0.187082D+01 -0.325423D+00
                66            67            68            69            70 
      1   0.419981D+01 -0.403420D+01  0.266344D+01 -0.199830D+00  0.799845D+01
      2  -0.785895D+00 -0.152437D+01  0.361127D+01 -0.244053D+00 -0.276458D+01
      3  -0.341391D+01  0.555857D+01 -0.627471D+01  0.443883D+00 -0.523387D+01
      4  -0.226005D+01  0.118832D+02 -0.781964D+01  0.167665D+01 -0.592838D+01
      5   0.748139D+01  0.162344D+00  0.825342D+00 -0.467319D+00  0.672980D+01
      6  -0.455228D+01  0.549471D+00 -0.776319D-01  0.152888D+01 -0.351732D+01
                71            72            73            74            75 
      1  -0.330671D+00  0.358378D+01  0.293698D+01 -0.168446D+01 -0.229489D+01
      2  -0.141464D+01 -0.370242D+01 -0.310499D+01  0.146702D+01  0.149944D+01
      3   0.174531D+01  0.118638D+00  0.168018D+00  0.217438D+00  0.795453D+00
      4   0.445347D+01 -0.289057D+01 -0.224538D+01  0.915196D+00  0.508462D+00
      5  -0.113585D+01  0.216752D+01 -0.178344D+01 -0.603170D+00  0.475229D+01
      6   0.166590D+01 -0.119473D+01  0.443097D+00  0.810048D+00  0.380356D-01
                76            77            78            79            80 
      1  -0.827613D-01 -0.249344D+01  0.702891D+00 -0.278425D+01 -0.139485D+01
      2   0.677663D-01  0.142981D+00  0.493064D+01  0.314211D+01  0.468185D+01
      3   0.149950D-01  0.235046D+01 -0.563353D+01 -0.357862D+00 -0.328700D+01
      4   0.163297D+00  0.232486D+01 -0.202377D+01  0.224758D+01 -0.420418D+01
      5  -0.237657D+01 -0.162395D+01  0.472106D+01  0.710091D+01  0.980225D+00
      6   0.206722D+00 -0.114360D+01  0.198868D+01 -0.102851D+01  0.436553D+01
                81            82            83            84            85 
      1  -0.121326D+02 -0.216135D+01 -0.101748D+02 -0.739715D+00 -0.867505D+01
      2  -0.180514D+02  0.570640D+01  0.145514D+02  0.202488D+00  0.987910D+01
      3   0.301840D+02 -0.354505D+01 -0.437659D+01  0.537226D+00 -0.120405D+01
      4   0.159114D+01  0.243641D+01  0.207729D+01 -0.790427D+00  0.511657D+01
      5  -0.199090D+02  0.177958D+01  0.113207D+01 -0.355798D+00  0.203108D+01
      6   0.130238D+02  0.275397D+00  0.270007D+01  0.331989D+01  0.162027D+01
                86            87            88            89            90 
      1  -0.236474D+02 -0.133220D+01  0.505582D+00  0.404421D-01 -0.368560D+01
      2   0.384507D+02  0.571419D+00 -0.538770D-01 -0.112329D+01  0.195700D+01
      3  -0.148033D+02  0.760785D+00 -0.451705D+00  0.108285D+01  0.172860D+01
      4  -0.603133D+01 -0.122969D-01 -0.147048D+01  0.921951D+00  0.659969D+00
      5   0.197066D+01 -0.130681D+01  0.928394D+00 -0.201196D+00 -0.115743D+01
      6   0.543363D+01  0.624788D+01  0.209781D+01  0.563552D+01  0.533544D+00
                91            92            93            94            95 
      1   0.396555D+02  0.400950D+01 -0.603718D+01 -0.772634D+00  0.160568D+01
      2  -0.203423D+02 -0.217049D+00  0.286620D+01  0.150068D+01  0.358073D+00
      3  -0.193132D+02 -0.379245D+01  0.317098D+01 -0.728049D+00 -0.196375D+01
      4   0.179547D+02  0.872805D+01 -0.152564D+01  0.502762D+01  0.919577D+00
      5  -0.263192D+01  0.549771D+00  0.623278D+01  0.171767D+01 -0.671600D+00
      6  -0.223348D+01  0.866877D+00  0.312998D+01  0.647455D+00 -0.141487D+00
                96            97            98            99           100 
      1   0.157094D+01 -0.108632D+02  0.367636D-03  0.275625D+01  0.140331D+01
      2  -0.112270D+01  0.693876D+01 -0.669451D+00 -0.231373D+01 -0.648519D+00
      3  -0.448239D+00  0.392448D+01  0.669084D+00 -0.442515D+00 -0.754793D+00
      4  -0.232776D+00 -0.472344D+01 -0.100694D+01  0.134465D+01  0.313810D+01
      5  -0.192346D+00  0.450721D+01  0.917829D+00 -0.244270D+01  0.183944D+01
      6   0.127893D+01  0.104273D+01  0.191249D+01 -0.104035D+01  0.215082D+01
               101           102           103           104           105 
      1   0.147383D+01  0.139081D+01  0.194178D+01 -0.706356D+01 -0.451097D+01
      2  -0.101433D+00 -0.176685D-01 -0.636968D+00  0.820244D+01  0.402265D+01
      3  -0.137239D+01 -0.137314D+01 -0.130481D+01 -0.113888D+01  0.488318D+00
      4   0.427838D+01  0.308271D+01  0.593754D+01  0.100345D+02  0.671397D+01
      5   0.271593D+01  0.271564D+01  0.379247D+01  0.716558D+01  0.950657D+01
      6   0.804950D+00  0.133655D+00  0.382102D+01  0.124598D+02  0.136581D+02
               106           107           108           109           110 
      1   0.219503D+01 -0.707868D+01 -0.960170D+01 -0.703707D+01 -0.318710D+01
      2  -0.111054D+01  0.424357D+01  0.177119D+01  0.551102D+01  0.288734D+01
      3  -0.108450D+01  0.283511D+01  0.783051D+01  0.152606D+01  0.299760D+00
      4   0.497773D+01  0.988254D+01  0.861601D+01  0.805897D+01 -0.304958D+01
      5   0.528442D+01  0.102471D+02  0.124457D+02 -0.145861D+01  0.976871D+00
      6   0.343065D+01  0.153576D+02  0.173452D+02  0.220631D+01 -0.223187D+01
               111           112           113           114           115 
      1   0.159618D+01 -0.298775D+01 -0.845974D+01  0.275267D+01  0.186405D+00
      2   0.301265D+00  0.209221D+01  0.113837D+02 -0.266461D+01 -0.816809D-01
      3  -0.189745D+01  0.895537D+00 -0.292396D+01 -0.880638D-01 -0.104725D+00
      4   0.249476D+01  0.422121D+01 -0.214507D+01  0.110620D+01  0.216875D+00
      5  -0.401662D+01 -0.423604D+00 -0.116325D+00 -0.422066D+00  0.701519D+00
      6   0.179625D+01  0.169198D+00 -0.456297D+01  0.398370D+01  0.757814D+00
               116           117 
      1   0.285321D+01 -0.347821D+01
      2  -0.220390D+01  0.151264D+01
      3  -0.649306D+00  0.196557D+01
      4  -0.119779D+01  0.434341D+00
      5  -0.136854D+00 -0.142421D+01
      6   0.389293D+01 -0.353409D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:30:56 2021, MaxMem=  6442450944 cpu:            3948.6 elap:             494.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.30826 -19.25150 -14.47391 -10.42399 -10.35830
 Alpha  occ. eigenvalues --  -10.31136  -1.20683  -1.12367  -1.02688  -0.87031
 Alpha  occ. eigenvalues --   -0.76253  -0.69182  -0.62272  -0.61979  -0.58593
 Alpha  occ. eigenvalues --   -0.54344  -0.52860  -0.50366  -0.48529  -0.46661
 Alpha  occ. eigenvalues --   -0.45246  -0.40039  -0.38862  -0.34742
 Alpha virt. eigenvalues --    0.02336   0.04343   0.04579   0.05572   0.07119
 Alpha virt. eigenvalues --    0.07424   0.07834   0.08518   0.10550   0.10967
 Alpha virt. eigenvalues --    0.12320   0.13879   0.14656   0.14957   0.15409
 Alpha virt. eigenvalues --    0.15893   0.16077   0.16412   0.18106   0.18960
 Alpha virt. eigenvalues --    0.19354   0.19728   0.20660   0.21940   0.24878
 Alpha virt. eigenvalues --    0.25199   0.25655   0.26431   0.28462   0.28794
 Alpha virt. eigenvalues --    0.29279   0.30289   0.31680   0.32017   0.33331
 Alpha virt. eigenvalues --    0.33681   0.34031   0.35697   0.37677   0.39252
 Alpha virt. eigenvalues --    0.39786   0.40330   0.40863   0.41459   0.43333
 Alpha virt. eigenvalues --    0.43520   0.45589   0.45902   0.47518   0.48033
 Alpha virt. eigenvalues --    0.49150   0.49870   0.50323   0.51245   0.52258
 Alpha virt. eigenvalues --    0.52778   0.54629   0.56936   0.58030   0.58242
 Alpha virt. eigenvalues --    0.61174   0.62397   0.63257   0.64290   0.64819
 Alpha virt. eigenvalues --    0.65587   0.66592   0.68141   0.68477   0.70441
 Alpha virt. eigenvalues --    0.71226   0.72036   0.73805   0.75272   0.76549
 Alpha virt. eigenvalues --    0.79052   0.79264   0.81229   0.83739   0.84557
 Alpha virt. eigenvalues --    0.85365   0.88098   0.90293   0.92009   0.92402
 Alpha virt. eigenvalues --    0.94716   0.97879   1.00978   1.01137   1.03119
 Alpha virt. eigenvalues --    1.04923   1.05997   1.09802   1.12715   1.14365
 Alpha virt. eigenvalues --    1.15662   1.16447   1.18400   1.18720   1.24411
 Alpha virt. eigenvalues --    1.25552   1.28170   1.28483   1.30813   1.32119
 Alpha virt. eigenvalues --    1.38504   1.40451   1.44498   1.46331   1.50270
 Alpha virt. eigenvalues --    1.54298   1.55531   1.57252   1.58759   1.60584
 Alpha virt. eigenvalues --    1.68895   1.70145   1.71293   1.72104   1.73443
 Alpha virt. eigenvalues --    1.75049   1.81286   1.82374   1.84346   1.85884
 Alpha virt. eigenvalues --    1.90655   1.93050   1.93308   1.96948   1.99130
 Alpha virt. eigenvalues --    2.02121   2.04056   2.06674   2.09493   2.13028
 Alpha virt. eigenvalues --    2.14590   2.16770   2.17257   2.19577   2.20948
 Alpha virt. eigenvalues --    2.22512   2.27992   2.29960   2.33019   2.34405
 Alpha virt. eigenvalues --    2.36768   2.41576   2.44352   2.47391   2.51481
 Alpha virt. eigenvalues --    2.55895   2.56297   2.62742   2.66744   2.67508
 Alpha virt. eigenvalues --    2.70174   2.73542   2.78041   2.84234   2.89819
 Alpha virt. eigenvalues --    2.94420   3.00892   3.06078   3.10430   3.25327
 Alpha virt. eigenvalues --    3.35081   3.44187   3.44766   3.46461   3.49003
 Alpha virt. eigenvalues --    3.51575   3.53882   3.55228   3.64440   3.79540
 Alpha virt. eigenvalues --    3.89807   4.04448
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.315900   0.406029  -0.206580   0.036144  -0.078741   0.041311
     2  C    0.406029   5.881106  -0.276152  -0.037634   0.080136   0.103541
     3  C   -0.206580  -0.276152   5.703976   0.304794   0.023067  -0.171707
     4  O    0.036144  -0.037634   0.304794   8.294914  -0.017515  -0.071634
     5  N   -0.078741   0.080136   0.023067  -0.017515   6.623673  -0.075079
     6  O    0.041311   0.103541  -0.171707  -0.071634  -0.075079   8.383013
     7  H    0.079012  -0.310160  -0.098482   0.026449  -0.082833   0.007299
     8  H    0.159609   0.271174  -0.020146   0.003682  -0.056497   0.000915
     9  H    0.387325  -0.158642  -0.088872   0.012937  -0.018951   0.026630
    10  H    0.218699  -0.029248   0.041543  -0.007725   0.013614  -0.007368
    11  H   -0.031254  -0.152651   0.006944   0.000211   0.350845   0.005027
    12  H   -0.024739   0.142910  -0.027439   0.001867   0.372803  -0.007426
    13  H   -0.011344  -0.112215  -0.041450   0.017016   0.067903   0.231494
               7          8          9         10         11         12
     1  C    0.079012   0.159609   0.387325   0.218699  -0.031254  -0.024739
     2  C   -0.310160   0.271174  -0.158642  -0.029248  -0.152651   0.142910
     3  C   -0.098482  -0.020146  -0.088872   0.041543   0.006944  -0.027439
     4  O    0.026449   0.003682   0.012937  -0.007725   0.000211   0.001867
     5  N   -0.082833  -0.056497  -0.018951   0.013614   0.350845   0.372803
     6  O    0.007299   0.000915   0.026630  -0.007368   0.005027  -0.007426
     7  H    1.754615  -0.088583   0.098440  -0.042763   0.039727  -0.110782
     8  H   -0.088583   1.469637  -0.289356  -0.266261  -0.017288   0.012270
     9  H    0.098440  -0.289356   1.394710  -0.242694  -0.009061  -0.003422
    10  H   -0.042763  -0.266261  -0.242694   1.493953   0.010937  -0.006479
    11  H    0.039727  -0.017288  -0.009061   0.010937   0.915443  -0.149627
    12  H   -0.110782   0.012270  -0.003422  -0.006479  -0.149627   0.819803
    13  H    0.012170  -0.004915  -0.000055   0.004568   0.001680  -0.012176
              13
     1  C   -0.011344
     2  C   -0.112215
     3  C   -0.041450
     4  O    0.017016
     5  N    0.067903
     6  O    0.231494
     7  H    0.012170
     8  H   -0.004915
     9  H   -0.000055
    10  H    0.004568
    11  H    0.001680
    12  H   -0.012176
    13  H    0.639699
 Mulliken charges:
               1
     1  C    0.708629
     2  C    0.191807
     3  C    0.850503
     4  O   -0.563507
     5  N   -0.202426
     6  O   -0.466016
     7  H   -0.284110
     8  H   -0.174241
     9  H   -0.108987
    10  H   -0.180777
    11  H    0.029066
    12  H   -0.007564
    13  H    0.207625
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.244623
     2  C   -0.092303
     3  C    0.850503
     4  O   -0.563507
     5  N   -0.180924
     6  O   -0.258392
 Electronic spatial extent (au):  <R**2>=            570.6958
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.2259    Y=             -1.3136    Z=             -0.6040  Tot=              5.4222
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -40.1515   YY=            -36.1231   ZZ=            -34.9759
   XY=             -0.7399   XZ=              1.0147   YZ=              2.7277
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.0680   YY=              0.9604   ZZ=              2.1076
   XY=             -0.7399   XZ=              1.0147   YZ=              2.7277
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -18.7140  YYY=             -7.1991  ZZZ=             -2.2962  XYY=             -5.1072
  XXY=             -6.8689  XXZ=             -0.2317  XZZ=             -0.9723  YZZ=             -3.7758
  YYZ=             -1.3643  XYZ=              0.6632
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -371.8951 YYYY=           -236.9947 ZZZZ=            -88.4650 XXXY=              6.5728
 XXXZ=              2.1461 YYYX=              3.7306 YYYZ=              3.3838 ZZZX=              3.1298
 ZZZY=              1.2103 XXYY=           -107.8232 XXZZ=            -79.9673 YYZZ=            -52.8559
 XXYZ=              5.4906 YYXZ=              6.4183 ZZXY=              3.3769
 N-N= 2.508239453803D+02 E-N=-1.259092059608D+03  KE= 3.217307506183D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:30:57 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.04538836D+00-5.32798870D-01-2.41207447D-01
 Polarizability= 5.53894139D+01 2.07466857D+00 5.36253798D+01
                -3.70774911D-01-2.08194124D+00 4.34536877D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.1204    0.1199        1.1170    1.1160
 2     -0.1204   -0.1199        1.2179    1.2182       -0.9984   -1.0011
 3     -1.1170   -1.1160        6.3077    6.3097       -1.2179   -1.2182
 4     -1.2179   -1.2182       -0.0000    0.0000       -1.1161   -1.1160
 5     -5.3093   -5.3086        1.1161    1.1160        0.1205    0.1199
 6      1.2179    1.2182       -0.1205   -0.1199        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.3596   -0.3596        3.3480    3.3480
 2     -3.6546   -3.6546       -0.0000    0.0000        3.3480    3.3480
 3     -3.6546   -3.6546       -0.3596   -0.3596        0.0000    0.0000
 4     -0.3596   -0.3596        3.6546    3.6546       -3.0032   -3.0032
 5     -3.3480   -3.3480       18.9290   18.9290       -3.6546   -3.6546
 6    -15.9258  -15.9258        3.3480    3.3480        0.3596    0.3596
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0725    0.0000       -0.3052   -0.4795       -4.4091   -4.4641
 2      0.5610    0.4795       -4.7498   -4.8729        3.8093    4.0043
 3      4.6296    4.4641      -25.1900  -25.2387        4.7560    4.8729
 4      4.7851    4.8729       -0.0391    0.0000        4.4064    4.4641
 5     21.1762   21.2344       -4.5603   -4.4641       -0.5096   -0.4795
 6     -5.0303   -4.8729        0.4732    0.4795        0.0089    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0874    0.0000       -7.6775   -7.5585        1.8263    1.9662
 2      7.4636    7.5585       -5.3938   -5.2896       17.7144   17.7268
 3     -1.9262   -1.9662       -0.6903   -0.3876        5.1384    5.2896
 4      5.1588    5.2896        0.1303    0.0000       -1.8976   -1.9662
 5    -17.3935  -17.3392        1.7671    1.9662       -7.4499   -7.5585
 6     -5.3968   -5.2896        7.4743    7.5585        0.0997    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3034    0.3026      -13.5589  -13.5647       -5.9398   -5.9713
 2      7.0035    6.8983      -14.3746  -14.4694       -5.9494   -5.9713
 3      6.9726    6.8983      -13.4524  -13.5647       -7.1716   -7.1999
 4      0.9719    0.9047       -6.5726   -6.5958       14.2464   14.2771
 5     -1.1196   -1.2287       12.6120   12.9877        6.5067    6.5958
 6    -27.1754  -27.2647        1.1156    1.2287       -0.8294   -0.9047
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2270   -0.0011   -0.0010   -0.0006    5.3769    7.6607
 Low frequencies ---   71.0656  239.9752  256.0351
 Diagonal vibrational polarizability:
       17.3564557      12.5954481       9.1215929
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     71.0626               239.9752               256.0351
 Red. masses --      3.8742                 1.3821                 1.5419
 Frc consts  --      0.0115                 0.0469                 0.0596
 IR Inten    --      1.0987                 1.2856                 1.4789
 RamAct Fr= 1--      0.9126                 0.4442                 0.2628
  Dep-P Fr= 1--      0.7410                 0.5758                 0.5120
  Dep-U Fr= 1--      0.8512                 0.7308                 0.6772
 Alpha2 Fr= 1--      0.0001                 0.0015                 0.0012
 Beta2  Fr= 1--      0.1295                 0.0541                 0.0297
 AlphaG Fr= 1--      0.0007                -0.0024                -0.0039
 Gamma2 Fr= 1--      0.1867                -0.0283                -0.1467
 Delta2 Fr= 1--      0.1153                -0.0749                -0.0086
 Raman1 Fr= 1--       3.650                  1.777                  1.051
 ROA1   Fr= 1--      21.616                 -5.114                -14.354
 CID1   Fr= 1--       5.922                 -2.878                -13.657
 Raman2 Fr= 1--       1.554                  0.649                  0.356
 ROA2   Fr= 1--       3.559                 -0.081                 -3.451
 CID2   Fr= 1--       2.291                 -0.124                 -9.698
 Raman3 Fr= 1--       3.107                  1.299                  0.712
 ROA3   Fr= 1--      21.616                 -5.114                -14.354
 CID3   Fr= 1--       6.957                 -3.938                -20.167
 RC180  Fr= 1--       0.702                  0.462                  0.354
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.12   0.19     0.12  -0.01   0.01    -0.12   0.03  -0.01
     2   6    -0.00   0.05  -0.01    -0.01  -0.03  -0.06    -0.00   0.05   0.05
     3   6    -0.01   0.01  -0.03    -0.02  -0.01  -0.02     0.01   0.01   0.02
     4   8     0.05  -0.11  -0.21    -0.04   0.04   0.05     0.06  -0.05  -0.01
     5   7     0.02   0.02  -0.16    -0.01  -0.02  -0.03     0.05   0.03   0.05
     6   8    -0.08   0.14   0.21    -0.04   0.02   0.03    -0.01  -0.05  -0.07
     7   1    -0.02   0.22   0.05    -0.05  -0.03  -0.05     0.01   0.05   0.04
     8   1    -0.02  -0.12   0.27    -0.04  -0.31   0.43    -0.22  -0.31   0.12
     9   1     0.07  -0.28   0.13     0.66   0.20   0.06     0.13   0.22   0.05
    10   1    -0.05  -0.08   0.30    -0.12   0.10  -0.41    -0.40   0.18  -0.26
    11   1    -0.09  -0.01  -0.48     0.01  -0.01   0.04    -0.11   0.02  -0.41
    12   1     0.32  -0.01  -0.15    -0.08  -0.01  -0.04     0.48  -0.14   0.15
    13   1    -0.08   0.15   0.24    -0.04  -0.00  -0.03    -0.05   0.04   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    282.7451               339.0367               392.7301
 Red. masses --      1.3973                 3.4037                 2.9360
 Frc consts  --      0.0658                 0.2305                 0.2668
 IR Inten    --     27.8476                12.0435                 1.1059
 RamAct Fr= 1--      0.5045                 0.6681                 0.8838
  Dep-P Fr= 1--      0.7493                 0.2656                 0.7046
  Dep-U Fr= 1--      0.8567                 0.4197                 0.8267
 Alpha2 Fr= 1--      0.0000                 0.0076                 0.0007
 Beta2  Fr= 1--      0.0720                 0.0467                 0.1218
 AlphaG Fr= 1--     -0.0006                 0.0036                -0.0006
 Gamma2 Fr= 1--      0.3413                 0.0618                 0.1931
 Delta2 Fr= 1--      0.2704                 0.1038                -0.0867
 Raman1 Fr= 1--       2.018                  2.672                  3.535
 ROA1   Fr= 1--      41.416                  9.259                 15.763
 CID1   Fr= 1--      20.522                  3.465                  4.459
 Raman2 Fr= 1--       0.864                  0.561                  1.461
 ROA2   Fr= 1--       6.028                  0.654                  5.328
 CID2   Fr= 1--       6.973                  1.165                  3.646
 Raman3 Fr= 1--       1.729                  1.122                  2.923
 ROA3   Fr= 1--      41.416                  9.259                 15.763
 CID3   Fr= 1--      23.955                  8.255                  5.393
 RC180  Fr= 1--       0.713                 -0.161                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01   0.00    -0.06   0.04  -0.02     0.04   0.20   0.02
     2   6     0.01   0.04   0.02     0.01  -0.03   0.09    -0.04   0.02   0.14
     3   6     0.03   0.02   0.01     0.02  -0.06   0.09    -0.07  -0.02   0.08
     4   8     0.09  -0.04  -0.03    -0.07  -0.02  -0.05    -0.11  -0.03  -0.07
     5   7     0.05  -0.00  -0.03    -0.19   0.07  -0.14     0.17  -0.13  -0.11
     6   8    -0.04   0.01   0.01     0.27  -0.03   0.07    -0.03  -0.05   0.01
     7   1    -0.01   0.02   0.02     0.18   0.05   0.11     0.00   0.05   0.15
     8   1    -0.15  -0.22   0.04    -0.11  -0.20   0.00     0.08   0.35  -0.02
     9   1     0.01   0.05   0.02     0.05   0.25   0.05    -0.01   0.44   0.10
    10   1    -0.28   0.09  -0.06    -0.24   0.12  -0.24     0.22   0.08  -0.19
    11   1     0.26  -0.09   0.61    -0.17   0.19  -0.12     0.17  -0.43  -0.01
    12   1    -0.47   0.25  -0.17    -0.30   0.24  -0.24     0.21   0.15  -0.29
    13   1    -0.05  -0.02  -0.19     0.42  -0.21   0.17    -0.02  -0.09  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    532.4147               639.0061               744.7541
 Red. masses --      4.9058                 4.1232                 4.9450
 Frc consts  --      0.8193                 0.9920                 1.6160
 IR Inten    --      2.0497                 7.1743                14.8971
 RamAct Fr= 1--      3.2693                 1.4603                 2.2328
  Dep-P Fr= 1--      0.1641                 0.7346                 0.0998
  Dep-U Fr= 1--      0.2819                 0.8470                 0.1814
 Alpha2 Fr= 1--      0.0488                 0.0004                 0.0391
 Beta2  Fr= 1--      0.1536                 0.2061                 0.0675
 AlphaG Fr= 1--      0.0034                -0.0003                 0.0418
 Gamma2 Fr= 1--      0.2366                -0.6375                -1.2012
 Delta2 Fr= 1--      0.0519                 0.1126                 0.0177
 Raman1 Fr= 1--      13.077                  5.841                  8.931
 ROA1   Fr= 1--      24.376                -57.593               -114.752
 CID1   Fr= 1--       1.864                 -9.860                -12.848
 Raman2 Fr= 1--       1.843                  2.474                  0.810
 ROA2   Fr= 1--       5.263                -16.200                -28.971
 CID2   Fr= 1--       2.856                 -6.549                -35.763
 Raman3 Fr= 1--       3.686                  4.948                  1.620
 ROA3   Fr= 1--      24.376                -57.593               -114.752
 CID3   Fr= 1--       6.613                -11.641                -70.827
 RC180  Fr= 1--      -0.436                  0.694                 -0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.10   0.04     0.05  -0.07  -0.02     0.07  -0.11  -0.10
     2   6    -0.22  -0.07   0.03     0.15  -0.13   0.21    -0.05   0.01  -0.04
     3   6     0.02   0.10  -0.08     0.15   0.12   0.12    -0.19   0.24   0.41
     4   8     0.28  -0.07   0.11     0.06   0.16  -0.13     0.02  -0.14  -0.06
     5   7    -0.17  -0.22  -0.05    -0.15  -0.10  -0.01     0.01   0.04  -0.02
     6   8     0.06   0.16  -0.06    -0.17  -0.03  -0.04     0.03   0.05  -0.14
     7   1    -0.39  -0.08   0.04     0.24  -0.14   0.21     0.33  -0.16  -0.12
     8   1    -0.00   0.39   0.13     0.10  -0.15  -0.24     0.01   0.11   0.27
     9   1     0.00   0.26   0.09    -0.10   0.21   0.07     0.34  -0.33  -0.17
    10   1     0.23  -0.07  -0.15     0.03  -0.07  -0.19     0.23  -0.20  -0.01
    11   1    -0.23  -0.29  -0.18    -0.21   0.21  -0.30     0.06  -0.06   0.16
    12   1    -0.03  -0.12  -0.12    -0.14   0.11  -0.15     0.01  -0.10   0.08
    13   1     0.17   0.03   0.02    -0.35   0.21  -0.20     0.08   0.02   0.12
                     10                     11                     12
                      A                      A                      A
 Frequencies --    802.2192               845.8360               874.2559
 Red. masses --      2.8268                 1.3684                 1.2854
 Frc consts  --      1.0718                 0.5768                 0.5789
 IR Inten    --      9.7925                80.6785                78.9541
 RamAct Fr= 1--      8.7719                 2.3064                 0.9534
  Dep-P Fr= 1--      0.0261                 0.3109                 0.2554
  Dep-U Fr= 1--      0.0509                 0.4743                 0.4069
 Alpha2 Fr= 1--      0.1833                 0.0229                 0.0111
 Beta2  Fr= 1--      0.0745                 0.1823                 0.0647
 AlphaG Fr= 1--     -0.0749                 0.0775                -0.0542
 Gamma2 Fr= 1--      0.2200                -0.2367                 0.2097
 Delta2 Fr= 1--      0.1886                -0.3115                 0.3553
 Raman1 Fr= 1--      35.088                  9.225                  3.813
 ROA1   Fr= 1--      27.151                -32.690                 31.505
 CID1   Fr= 1--       0.774                 -3.543                  8.262
 Raman2 Fr= 1--       0.894                  2.188                  0.776
 ROA2   Fr= 1--       3.770                 -3.188                  2.191
 CID2   Fr= 1--       4.220                 -1.457                  2.824
 Raman3 Fr= 1--       1.787                  4.376                  1.552
 ROA3   Fr= 1--      27.151                -32.690                 31.505
 CID3   Fr= 1--      15.194                 -7.470                 20.304
 RC180  Fr= 1--      -0.898                 -0.051                 -0.186
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.06  -0.02     0.02  -0.06   0.00    -0.02   0.06   0.02
     2   6     0.11  -0.03   0.12    -0.01  -0.05   0.07     0.04   0.02  -0.05
     3   6    -0.16  -0.02  -0.09    -0.01  -0.02  -0.04    -0.01   0.00   0.00
     4   8    -0.03  -0.13   0.08    -0.00  -0.00   0.03    -0.01   0.00   0.01
     5   7     0.06  -0.01   0.05    -0.00   0.09  -0.08     0.02  -0.10   0.01
     6   8    -0.03   0.18  -0.08    -0.00   0.02  -0.04     0.01  -0.02  -0.03
     7   1     0.01   0.05   0.15    -0.02   0.13   0.13     0.08  -0.08  -0.08
     8   1     0.11  -0.28  -0.35     0.07  -0.04  -0.17    -0.05   0.01   0.12
     9   1    -0.16   0.12   0.04    -0.10   0.21   0.09     0.04  -0.11  -0.04
    10   1    -0.07   0.01  -0.10     0.08  -0.11  -0.21    -0.09   0.12   0.19
    11   1    -0.03   0.37  -0.29     0.13  -0.23   0.36    -0.00   0.22  -0.11
    12   1    -0.14   0.44  -0.24     0.11  -0.23   0.14    -0.28   0.20  -0.18
    13   1     0.21  -0.16  -0.04    -0.15   0.35   0.59    -0.14   0.34   0.72
                     13                     14                     15
                      A                      A                      A
 Frequencies --    941.4244              1015.9197              1060.1932
 Red. masses --      1.8242                 1.5005                 1.6996
 Frc consts  --      0.9526                 0.9124                 1.1256
 IR Inten    --     37.4900                 1.0380                33.3234
 RamAct Fr= 1--      3.0455                 2.3812                 3.7127
  Dep-P Fr= 1--      0.3176                 0.7169                 0.2174
  Dep-U Fr= 1--      0.4821                 0.8351                 0.3572
 Alpha2 Fr= 1--      0.0296                 0.0014                 0.0481
 Beta2  Fr= 1--      0.2447                 0.3314                 0.2210
 AlphaG Fr= 1--      0.0250                 0.0023                -0.0399
 Gamma2 Fr= 1--      0.4733                -0.7267                -0.0100
 Delta2 Fr= 1--      0.2650                -0.1059                -0.6973
 Raman1 Fr= 1--      12.182                  9.525                 14.851
 ROA1   Fr= 1--      53.920                -73.153                -23.277
 CID1   Fr= 1--       4.426                 -7.680                 -1.567
 Raman2 Fr= 1--       2.936                  3.977                  2.652
 ROA2   Fr= 1--       9.240                -16.594                  5.337
 CID2   Fr= 1--       3.147                 -4.172                  2.012
 Raman3 Fr= 1--       5.873                  7.954                  5.304
 ROA3   Fr= 1--      53.920                -73.153                -23.277
 CID3   Fr= 1--       9.181                 -9.197                 -4.388
 RC180  Fr= 1--      -0.036                  0.670                 -0.286
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.12  -0.07    -0.11  -0.00   0.10     0.09  -0.04   0.05
     2   6    -0.15   0.03   0.04     0.05  -0.10  -0.08    -0.02   0.11  -0.10
     3   6     0.03   0.02  -0.02    -0.01   0.01   0.02    -0.05   0.08   0.05
     4   8     0.02   0.04  -0.01    -0.00  -0.01  -0.00     0.01   0.01  -0.02
     5   7     0.08   0.06   0.05     0.06   0.02  -0.02    -0.01  -0.08   0.02
     6   8     0.02  -0.07   0.04    -0.01   0.01  -0.01     0.02  -0.07   0.03
     7   1    -0.32   0.03   0.05     0.10   0.08  -0.03    -0.34   0.48   0.05
     8   1     0.01   0.19   0.06    -0.05   0.36   0.11     0.18  -0.26  -0.45
     9   1     0.11   0.03  -0.03    -0.02   0.36   0.21    -0.27   0.26   0.14
    10   1     0.26  -0.31  -0.29     0.20  -0.21  -0.27    -0.13   0.07  -0.17
    11   1    -0.02   0.19  -0.23     0.10   0.55  -0.07    -0.01   0.10  -0.01
    12   1    -0.06   0.56  -0.28    -0.23  -0.25   0.15    -0.15  -0.17   0.07
    13   1    -0.04   0.04   0.16     0.03  -0.05  -0.08     0.04  -0.08   0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1131.6660              1206.6474              1272.5746
 Red. masses --      2.4284                 2.4347                 1.4646
 Frc consts  --      1.8324                 2.0886                 1.3974
 IR Inten    --     11.8124                15.7688                 3.0975
 RamAct Fr= 1--      1.8404                 5.7794                 2.9916
  Dep-P Fr= 1--      0.7162                 0.6735                 0.2389
  Dep-U Fr= 1--      0.8346                 0.8049                 0.3856
 Alpha2 Fr= 1--      0.0011                 0.0078                 0.0366
 Beta2  Fr= 1--      0.2560                 0.7753                 0.1923
 AlphaG Fr= 1--      0.0025                -0.0037                 0.0204
 Gamma2 Fr= 1--      0.3174                -0.4778                -0.6677
 Delta2 Fr= 1--      0.6762                -0.0295                 0.4864
 Raman1 Fr= 1--       7.362                 23.118                 11.966
 ROA1   Fr= 1--      52.109                -46.815                -48.538
 CID1   Fr= 1--       7.078                 -2.025                 -4.056
 Raman2 Fr= 1--       3.072                  9.304                  2.307
 ROA2   Fr= 1--       2.208                -11.231                -19.917
 CID2   Fr= 1--       0.719                 -1.207                 -8.632
 Raman3 Fr= 1--       6.144                 18.608                  4.614
 ROA3   Fr= 1--      52.109                -46.815                -48.538
 CID3   Fr= 1--       8.481                 -2.516                -10.519
 RC180  Fr= 1--       0.669                  0.610                 -0.229
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.09  -0.07     0.02  -0.02   0.08    -0.03  -0.04   0.07
     2   6     0.07   0.25   0.05    -0.06  -0.00  -0.14     0.07   0.03  -0.07
     3   6     0.06  -0.10  -0.01     0.16  -0.14   0.15    -0.07   0.06  -0.06
     4   8    -0.04  -0.02   0.02    -0.06  -0.04   0.01     0.03   0.02  -0.00
     5   7    -0.06  -0.11   0.03    -0.01   0.03   0.05    -0.05   0.01   0.05
     6   8     0.01   0.06  -0.02     0.02   0.11  -0.06    -0.01  -0.04   0.02
     7   1     0.36   0.51   0.12    -0.06  -0.16  -0.19     0.48  -0.25  -0.20
     8   1    -0.05   0.29   0.16     0.08  -0.03  -0.17     0.05   0.12  -0.11
     9   1     0.25  -0.00  -0.05    -0.23   0.26   0.18    -0.02   0.23   0.16
    10   1     0.26  -0.29  -0.21    -0.09   0.03  -0.13     0.06  -0.11  -0.19
    11   1    -0.06  -0.09   0.04    -0.10  -0.26  -0.10    -0.10  -0.46   0.05
    12   1    -0.10  -0.20   0.08     0.08   0.35  -0.17     0.17   0.32  -0.15
    13   1    -0.07   0.13  -0.09    -0.28   0.46  -0.25     0.14  -0.22   0.16
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1336.3115              1361.4278              1407.1613
 Red. masses --      1.5282                 1.3474                 1.3486
 Frc consts  --      1.6079                 1.4714                 1.5734
 IR Inten    --     10.3129                33.3786               150.5979
 RamAct Fr= 1--      1.7185                 3.7571                 2.2547
  Dep-P Fr= 1--      0.7255                 0.4625                 0.2870
  Dep-U Fr= 1--      0.8409                 0.6325                 0.4460
 Alpha2 Fr= 1--      0.0007                 0.0219                 0.0240
 Beta2  Fr= 1--      0.2408                 0.3961                 0.1676
 AlphaG Fr= 1--     -0.0031                -0.0316                 0.0043
 Gamma2 Fr= 1--      0.6766                 0.0637                -0.0606
 Delta2 Fr= 1--      0.0598                -0.9035                 0.1096
 Raman1 Fr= 1--       6.874                 15.029                  9.019
 ROA1   Fr= 1--      66.871                -22.795                 -2.314
 CID1   Fr= 1--       9.728                 -1.517                 -0.257
 Raman2 Fr= 1--       2.890                  4.753                  2.011
 ROA2   Fr= 1--      15.761                  8.757                 -2.332
 CID2   Fr= 1--       5.453                  1.843                 -1.159
 Raman3 Fr= 1--       5.780                  9.505                  4.023
 ROA3   Fr= 1--      66.871                -22.795                 -2.314
 CID3   Fr= 1--      11.569                 -2.398                 -0.575
 RC180  Fr= 1--       0.682                  0.265                 -0.108
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00   0.02    -0.01   0.03  -0.03    -0.05   0.08   0.06
     2   6    -0.19   0.00   0.03    -0.00  -0.13  -0.06     0.02  -0.04  -0.01
     3   6     0.00  -0.02  -0.04     0.01  -0.01   0.02    -0.05   0.06  -0.04
     4   8     0.02   0.02   0.00     0.01   0.02  -0.01    -0.01  -0.03   0.01
     5   7     0.05  -0.01  -0.00    -0.00   0.01   0.05    -0.01  -0.00   0.01
     6   8     0.00  -0.00   0.01    -0.03   0.01  -0.01     0.06  -0.03   0.03
     7   1     0.87   0.02  -0.03     0.18   0.82   0.24     0.07   0.14   0.05
     8   1     0.05  -0.14  -0.07    -0.07   0.01   0.16    -0.02  -0.31  -0.26
     9   1    -0.18  -0.04   0.01    -0.02  -0.04  -0.05     0.18  -0.38  -0.11
    10   1    -0.12   0.09  -0.06    -0.01   0.05   0.11     0.32  -0.17  -0.27
    11   1     0.04   0.21  -0.07    -0.05  -0.21   0.00    -0.03  -0.04  -0.02
    12   1    -0.15  -0.12   0.07     0.07   0.25  -0.10     0.02   0.08  -0.04
    13   1    -0.04   0.06  -0.06     0.10  -0.14   0.10    -0.30   0.44  -0.29
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1414.3936              1498.0989              1501.6765
 Red. masses --      1.4122                 1.0424                 1.0582
 Frc consts  --      1.6645                 1.3783                 1.4059
 IR Inten    --    216.1815                 6.6874                 8.1589
 RamAct Fr= 1--      1.9870                 4.0975                 3.2850
  Dep-P Fr= 1--      0.1532                 0.7496                 0.7465
  Dep-U Fr= 1--      0.2656                 0.8569                 0.8549
 Alpha2 Fr= 1--      0.0305                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0880                 0.5852                 0.4680
 AlphaG Fr= 1--      0.0160                 0.0024                 0.0014
 Gamma2 Fr= 1--      0.0076                -0.8622                 0.0943
 Delta2 Fr= 1--     -0.2031                 0.1319                -0.2146
 Raman1 Fr= 1--       7.948                 16.390                 13.140
 ROA1   Fr= 1--      -5.771                -78.547                  2.184
 CID1   Fr= 1--      -0.726                 -4.792                  0.166
 Raman2 Fr= 1--       1.056                  7.022                  5.616
 ROA2   Fr= 1--       1.806                -21.747                  3.980
 CID2   Fr= 1--       1.711                 -3.097                  0.709
 Raman3 Fr= 1--       2.111                 14.044                 11.233
 ROA3   Fr= 1--      -5.771                -78.547                  2.184
 CID3   Fr= 1--      -2.733                 -5.593                  0.194
 RC180  Fr= 1--      -0.469                  0.714                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.06    -0.01  -0.03   0.04    -0.05  -0.01  -0.01
     2   6     0.03  -0.03   0.00    -0.01  -0.02   0.01    -0.04  -0.01  -0.00
     3   6    -0.06   0.08  -0.06     0.01  -0.00   0.00     0.01  -0.01   0.01
     4   8    -0.01  -0.04   0.02    -0.00  -0.00   0.00     0.00   0.01  -0.00
     5   7    -0.01  -0.00   0.01     0.00   0.00  -0.00     0.01   0.00   0.00
     6   8     0.07  -0.04   0.04    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   1     0.06   0.08   0.04    -0.01   0.06   0.04     0.06   0.01  -0.01
     8   1     0.00   0.30   0.26     0.20   0.53  -0.38     0.05  -0.17  -0.41
     9   1    -0.09   0.39   0.10     0.38  -0.28  -0.07     0.57   0.35   0.09
    10   1    -0.27   0.15   0.34    -0.46   0.23  -0.19     0.16  -0.08   0.54
    11   1    -0.01   0.00   0.02     0.01   0.02   0.02     0.00   0.03  -0.02
    12   1     0.06   0.06  -0.03     0.03   0.01  -0.01    -0.01  -0.01   0.01
    13   1    -0.31   0.46  -0.32    -0.00   0.00   0.01     0.01  -0.02   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1659.3199              1842.0558              3035.7013
 Red. masses --      1.0924                 9.5048                 1.0458
 Frc consts  --      1.7721                19.0020                 5.6782
 IR Inten    --     38.7651               320.7162                10.8740
 RamAct Fr= 1--      2.9574                13.3722               219.1308
  Dep-P Fr= 1--      0.6367                 0.3156                 0.0255
  Dep-U Fr= 1--      0.7780                 0.4798                 0.0496
 Alpha2 Fr= 1--      0.0061                 0.1308                 4.5876
 Beta2  Fr= 1--      0.3835                 1.0692                 1.8128
 AlphaG Fr= 1--     -0.0154                -0.0014                 0.3647
 Gamma2 Fr= 1--     -0.6032                 0.0978                 1.4112
 Delta2 Fr= 1--     -0.2275                -0.2636                 0.7386
 Raman1 Fr= 1--      11.829                 53.489                876.523
 ROA1   Fr= 1--     -65.183                  0.948                159.108
 CID1   Fr= 1--      -5.510                  0.018                  0.182
 Raman2 Fr= 1--       4.602                 12.831                 21.754
 ROA2   Fr= 1--     -12.656                  4.455                 27.959
 CID2   Fr= 1--      -2.750                  0.347                  1.285
 Raman3 Fr= 1--       9.204                 25.662                 43.508
 ROA3   Fr= 1--     -65.183                  0.948                159.108
 CID3   Fr= 1--      -7.082                  0.037                  3.657
 RC180  Fr= 1--       0.556                 -0.040                 -0.901
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01   0.01     0.03  -0.01  -0.04
     2   6    -0.02   0.01  -0.02    -0.04  -0.02   0.00     0.00  -0.01   0.03
     3   6     0.00  -0.01   0.01     0.50   0.48  -0.16    -0.00  -0.00   0.00
     4   8     0.00   0.00  -0.00    -0.31  -0.30   0.10     0.00   0.00  -0.00
     5   7    -0.05  -0.05  -0.01    -0.01  -0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00   0.00  -0.00    -0.06  -0.03   0.00     0.00  -0.00   0.00
     7   1     0.04   0.02  -0.02     0.16   0.03  -0.02    -0.02   0.13  -0.39
     8   1    -0.01  -0.04  -0.00    -0.00  -0.07  -0.05    -0.52   0.09  -0.15
     9   1    -0.02   0.00   0.01     0.01  -0.00   0.01     0.03  -0.21   0.61
    10   1     0.03  -0.02  -0.01     0.06  -0.02  -0.00     0.17   0.28  -0.03
    11   1     0.19   0.52   0.44    -0.00  -0.01   0.03    -0.00  -0.00  -0.00
    12   1     0.66   0.19  -0.15     0.01   0.01  -0.00    -0.00   0.00   0.01
    13   1     0.01  -0.02   0.00     0.30  -0.34   0.24    -0.00   0.00  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   3040.1381              3097.6657              3133.8202
 Red. masses --      1.0751                 1.1028                 1.0995
 Frc consts  --      5.8546                 6.2347                 6.3622
 IR Inten    --     22.9439                23.5526                 6.6228
 RamAct Fr= 1--     42.6224                53.6028                51.3698
  Dep-P Fr= 1--      0.7214                 0.6532                 0.5899
  Dep-U Fr= 1--      0.8382                 0.7902                 0.7421
 Alpha2 Fr= 1--      0.0209                 0.0930                 0.1533
 Beta2  Fr= 1--      5.9543                 7.0594                 6.3532
 AlphaG Fr= 1--     -0.0023                 0.1334                -0.1034
 Gamma2 Fr= 1--      2.0889                 1.9523                -2.4162
 Delta2 Fr= 1--      0.1918                 2.6347                -1.9399
 Raman1 Fr= 1--     170.490                214.411                205.479
 ROA1   Fr= 1--     206.676                271.727               -294.032
 CID1   Fr= 1--       1.212                  1.267                 -1.431
 Raman2 Fr= 1--      71.451                 84.713                 76.239
 ROA2   Fr= 1--      48.600                 25.776                -42.469
 CID2   Fr= 1--       0.680                  0.304                 -0.557
 Raman3 Fr= 1--     142.902                169.425                152.477
 ROA3   Fr= 1--     206.676                271.727               -294.032
 CID3   Fr= 1--       1.446                  1.604                 -1.928
 RC180  Fr= 1--       0.676                  0.580                  0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.00    -0.06   0.03  -0.07    -0.06  -0.07   0.02
     2   6    -0.00   0.02  -0.07    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1     0.05  -0.28   0.84     0.01  -0.05   0.15    -0.00   0.01  -0.04
     8   1    -0.36   0.06  -0.10     0.67  -0.11   0.18     0.23  -0.05   0.07
     9   1     0.01  -0.05   0.17     0.01  -0.22   0.65    -0.02   0.08  -0.26
    10   1     0.11   0.17  -0.02    -0.00   0.02  -0.02     0.47   0.79  -0.06
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3453.6614              3510.3946              3587.2423
 Red. masses --      1.0641                 1.0494                 1.0949
 Frc consts  --      7.4779                 7.6193                 8.3011
 IR Inten    --    246.2172                 0.7138                 9.6433
 RamAct Fr= 1--     75.6480               122.1266                52.8900
  Dep-P Fr= 1--      0.0910                 0.0915                 0.7405
  Dep-U Fr= 1--      0.1668                 0.1676                 0.8509
 Alpha2 Fr= 1--      1.3538                 2.1832                 0.0086
 Beta2  Fr= 1--      2.1036                 3.4117                 7.5007
 AlphaG Fr= 1--     -0.0343                -0.3059                -0.0658
 Gamma2 Fr= 1--     -0.7462                 2.0174                -7.3754
 Delta2 Fr= 1--     -1.5462                 3.1662                -0.7317
 Raman1 Fr= 1--     302.592                488.507                211.560
 ROA1   Fr= 1--    -121.110                294.986               -731.451
 CID1   Fr= 1--      -0.400                  0.604                 -3.457
 Raman2 Fr= 1--      25.243                 40.940                 90.008
 ROA2   Fr= 1--      -5.539                 23.087               -171.155
 CID2   Fr= 1--      -0.219                  0.564                 -1.902
 Raman3 Fr= 1--      50.486                 81.880                180.016
 ROA3   Fr= 1--    -121.110                294.986               -731.451
 CID3   Fr= 1--      -2.399                  3.603                 -4.063
 RC180  Fr= 1--      -0.666                 -0.665                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.01  -0.00  -0.00    -0.04  -0.03  -0.03    -0.05   0.03   0.06
     6   8    -0.05  -0.03   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
     7   1    -0.00  -0.01   0.01     0.00   0.00   0.01    -0.00   0.00  -0.01
     8   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   1     0.09  -0.01  -0.03     0.61  -0.07  -0.24     0.70  -0.08  -0.24
    12   1    -0.00   0.04   0.07    -0.02   0.40   0.62    -0.01  -0.35  -0.56
    13   1     0.81   0.56  -0.11    -0.10  -0.07   0.01    -0.02  -0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Molecular mass:    89.04768 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   361.21667 561.13343 778.07344
           X            0.99918  -0.04047  -0.00213
           Y            0.04053   0.99832   0.04146
           Z            0.00045  -0.04151   0.99914
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.23978     0.15436     0.11132
 Rotational constants (GHZ):           4.99628     3.21624     2.31950
 Zero-point vibrational energy     284278.0 (Joules/Mol)
                                   67.94406 (Kcal/Mol)
 Warning -- explicit consideration of   7 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.24   345.27   368.38   406.81   487.80
          (Kelvin)            565.05   766.03   919.39  1071.54  1154.21
                             1216.97  1257.86  1354.50  1461.68  1525.38
                             1628.21  1736.10  1830.95  1922.65  1958.79
                             2024.59  2035.00  2155.43  2160.58  2387.39
                             2650.31  4367.70  4374.08  4456.85  4508.87
                             4969.05  5050.67  5161.24
 
 Zero-point correction=                           0.108276 (Hartree/Particle)
 Thermal correction to Energy=                    0.114858
 Thermal correction to Enthalpy=                  0.115802
 Thermal correction to Gibbs Free Energy=         0.078008
 Sum of electronic and zero-point Energies=           -323.796661
 Sum of electronic and thermal Energies=              -323.790078
 Sum of electronic and thermal Enthalpies=            -323.789134
 Sum of electronic and thermal Free Energies=         -323.826929
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.074             23.295             79.545
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.372
 Rotational               0.889              2.981             26.558
 Vibrational             70.297             17.333             13.615
 Vibration     1          0.598              1.968              4.124
 Vibration     2          0.657              1.779              1.803
 Vibration     3          0.666              1.753              1.689
 Vibration     4          0.682              1.706              1.517
 Vibration     5          0.719              1.597              1.217
 Vibration     6          0.760              1.486              0.990
 Vibration     7          0.887              1.178              0.582
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.131520D-35        -35.881009        -82.619077
 Total V=0       0.836255D+14         13.922339         32.057369
 Vib (Bot)       0.280111D-48        -48.552670       -111.796654
 Vib (Bot)    1  0.290185D+01          0.462675          1.065348
 Vib (Bot)    2  0.817096D+00         -0.087727         -0.201998
 Vib (Bot)    3  0.760083D+00         -0.119139         -0.274328
 Vib (Bot)    4  0.678993D+00         -0.168134         -0.387144
 Vib (Bot)    5  0.548017D+00         -0.261206         -0.601450
 Vib (Bot)    6  0.456240D+00         -0.340806         -0.784735
 Vib (Bot)    7  0.299708D+00         -0.523302         -1.204948
 Vib (V=0)       0.178106D+02          1.250678          2.879792
 Vib (V=0)    1  0.344461D+01          0.537140          1.236810
 Vib (V=0)    2  0.145794D+01          0.163739          0.377024
 Vib (V=0)    3  0.140979D+01          0.149156          0.343444
 Vib (V=0)    4  0.134323D+01          0.128149          0.295075
 Vib (V=0)    5  0.124184D+01          0.094065          0.216592
 Vib (V=0)    6  0.117687D+01          0.070729          0.162860
 Vib (V=0)    7  0.108294D+01          0.034606          0.079684
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.330284D+08          7.518888         17.312879
 Rotational      0.142159D+06          5.152773         11.864698
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3           3333                                         1      1   11  1111 1  1 1  1 1                                   
     5  5 4           1000                                         8      6   54  4433 2  2 1  0 0 9  888 7   6   5    33 222        
     8  1 5           3943                                         4      5   09  1063 7  0 3  6 1 4  740 4   3   3    93 854     7  
     7  0 4           4806                                         2      9   28  4716 3  7 2  0 6 1  462 5   9   2    39 360     1  
 
     X  X X           XXXX                                         X      X   XX  XXXX X  X X  X X X  XXX X   X   X    XX XXX     X  
          X                                                        X      X       XXX          X   X  XX                  X          
          X                                                        X              XX                  XX                             
          X                                                        X              XX                  XX                             
          X                                                        X              XX                  XX                             
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X                                                                 
          X                                                        X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001164   -0.000000886    0.000001415
      2        6           0.000016490    0.000020053    0.000004374
      3        6          -0.000007848    0.000042400   -0.000024156
      4        8          -0.000004338   -0.000006686   -0.000000567
      5        7           0.000011045   -0.000025000    0.000006469
      6        8          -0.000010862   -0.000025158    0.000015845
      7        1          -0.000005428   -0.000000338    0.000000884
      8        1          -0.000001419   -0.000002172    0.000001096
      9        1          -0.000001571    0.000003068   -0.000002079
     10        1           0.000000703    0.000000149   -0.000002611
     11        1          -0.000004210    0.000003792    0.000000261
     12        1          -0.000001060    0.000001901   -0.000004464
     13        1           0.000007333   -0.000011123    0.000003533
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000042400 RMS     0.000011661
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.560449D+00
      2  0.390114D-01  0.528359D+00
      3  0.257305D-01 -0.484977D-01  0.523877D+00
      4 -0.956741D-01  0.181657D-01  0.230134D-01  0.449421D+00
      5  0.367352D-01 -0.117455D+00 -0.422128D-01  0.506987D-02  0.477556D+00
      6  0.362255D-01 -0.383800D-01 -0.117902D+00 -0.258494D-02 -0.518976D-01
      7 -0.197095D-01  0.178730D-01  0.671031D-02 -0.137951D+00  0.547164D-02
      8  0.246513D-01 -0.482219D-02  0.560729D-02  0.278348D-01 -0.726638D-01
      9  0.231860D-01 -0.140194D-02  0.829652D-02 -0.238542D-01 -0.377183D-02
     10  0.521506D-03 -0.381037D-02 -0.189045D-02 -0.271805D-01 -0.308966D-01
     11 -0.739015D-03 -0.305251D-02 -0.217968D-02 -0.150939D-01  0.295821D-02
     12 -0.283159D-02 -0.275400D-03 -0.213304D-03 -0.177216D-02  0.275395D-02
     13  0.499935D-02  0.974924D-02 -0.215037D-02 -0.103127D+00 -0.642390D-01
     14 -0.170145D-01 -0.343644D-01 -0.565609D-03 -0.279652D-01 -0.164781D+00
     15 -0.115233D-01 -0.230453D-01  0.217886D-02  0.167306D-01 -0.521200D-02
     16 -0.107439D-02 -0.381690D-03 -0.218114D-02 -0.108058D-01  0.234136D-01
     17 -0.155777D-03  0.182825D-02  0.114377D-02  0.421169D-02 -0.160925D-01
     18 -0.470625D-02 -0.507752D-03 -0.435883D-02 -0.939478D-02  0.221661D-01
     19  0.100633D-02 -0.305459D-02  0.146393D-01 -0.502546D-01  0.340778D-02
     20 -0.697502D-03  0.674794D-02 -0.246419D-01  0.445224D-02 -0.691881D-01
     21 -0.814681D-03  0.356653D-02 -0.204071D-01 -0.177092D-01  0.747975D-01
     22 -0.281579D+00  0.409734D-01 -0.659513D-01 -0.145814D-01  0.172700D-02
     23  0.401166D-01 -0.539943D-01  0.128690D-01  0.242346D-01 -0.749459D-02
     24 -0.680543D-01  0.124323D-01 -0.663586D-01  0.229069D-01 -0.533432D-02
     25 -0.492184D-01  0.328751D-02 -0.896851D-02 -0.127825D-02 -0.493158D-02
     26  0.236920D-02 -0.747641D-01  0.803155D-01 -0.606825D-04  0.625680D-02
     27 -0.807778D-02  0.785230D-01 -0.279549D+00  0.158661D-02  0.566729D-02
     28 -0.119652D+00 -0.122256D+00  0.101919D-01  0.652159D-02  0.115959D-01
     29 -0.117696D+00 -0.244759D+00  0.164585D-01 -0.106863D-01 -0.189200D-01
     30  0.112882D-01  0.185693D-01 -0.486029D-01 -0.118613D-01 -0.165290D-01
     31  0.277090D-02  0.188198D-02  0.458267D-03 -0.154162D-01  0.493498D-02
     32 -0.170575D-02  0.241419D-02  0.916698D-04 -0.338057D-01  0.656224D-03
     33 -0.115046D-02 -0.187741D-02  0.183167D-02  0.410841D-02  0.391169D-02
     34 -0.111072D-02 -0.387599D-03  0.769839D-03 -0.329065D-03 -0.442098D-02
     35 -0.466462D-02 -0.549700D-02  0.152519D-02  0.381286D-03 -0.184367D-01
     36  0.498649D-03  0.124844D-02  0.244973D-03 -0.646518D-03  0.112314D-01
     37 -0.172818D-02 -0.105210D-02 -0.371777D-03  0.654387D-03  0.121324D-01
     38 -0.210102D-03 -0.641168D-03  0.867469D-04  0.326164D-02 -0.239523D-02
     39  0.229457D-03 -0.353940D-03  0.962391D-03 -0.522844D-03  0.442960D-02
                6             7             8             9            10 
      6  0.572846D+00
      7 -0.194268D-01  0.739504D+00
      8 -0.230330D-02  0.260050D+00  0.717733D+00
      9 -0.960729D-01 -0.410551D-01 -0.208645D+00  0.335275D+00
     10  0.932502D-02 -0.428298D+00 -0.300762D+00  0.919644D-01  0.441275D+00
     11  0.811933D-02 -0.311842D+00 -0.384627D+00  0.104719D+00  0.363061D+00
     12  0.165181D-01  0.971746D-01  0.106351D+00 -0.115222D+00 -0.115269D+00
     13  0.295704D-01 -0.214668D-01 -0.246705D-01 -0.859476D-03 -0.107825D-01
     14  0.204497D-01 -0.821869D-02 -0.108228D-01  0.437226D-03 -0.166040D-02
     15 -0.878021D-01 -0.192594D-02  0.478769D-02 -0.996432D-03  0.136792D-02
     16 -0.222509D-01 -0.149029D+00  0.285125D-01 -0.350012D-01  0.269225D-01
     17  0.204211D-01  0.765286D-01 -0.193140D+00  0.910266D-01 -0.271386D-01
     18  0.793529D-02 -0.612742D-01  0.807043D-01 -0.113095D+00  0.176107D-01
     19 -0.192824D-01 -0.212651D-02  0.967707D-02 -0.337060D-01  0.439914D-03
     20  0.745080D-01  0.304952D-02 -0.218734D-02  0.803205D-02 -0.827161D-03
     21 -0.277109D+00  0.728953D-03  0.495704D-02 -0.934757D-02 -0.249128D-03
     22 -0.278767D-02  0.142636D-02  0.814352D-03  0.324797D-02 -0.407820D-03
     23  0.423867D-02 -0.224273D-02 -0.356699D-02 -0.379835D-02  0.969923D-03
     24  0.373795D-02 -0.896958D-03 -0.345841D-02 -0.341758D-02  0.786540D-03
     25  0.146461D-01  0.135627D-02 -0.117048D-02  0.171035D-02 -0.653554D-03
     26 -0.240707D-01 -0.129055D-02  0.134335D-02 -0.238631D-03 -0.830574D-04
     27 -0.211518D-01 -0.195481D-02  0.121756D-02 -0.794758D-03  0.688124D-03
     28 -0.261241D-02  0.757642D-03  0.182719D-02 -0.756104D-03 -0.547325D-03
     29  0.358232D-02 -0.262340D-02 -0.287859D-02  0.101332D-02  0.457655D-03
     30  0.158670D-02 -0.586394D-03 -0.522573D-03  0.909177D-03 -0.165404D-03
     31 -0.738830D-03  0.109714D-02 -0.239025D-02  0.129542D-02 -0.220295D-02
     32  0.116608D-01  0.836646D-03 -0.637440D-02  0.288192D-02 -0.250647D-02
     33 -0.456551D-02 -0.178495D-02  0.529688D-03 -0.151773D-02 -0.124949D-02
     34 -0.159644D-01  0.412098D-03 -0.321361D-02 -0.350815D-03 -0.921065D-03
     35 -0.290751D-01  0.243167D-05 -0.796591D-03 -0.259547D-03 -0.179899D-03
     36  0.498207D-02 -0.150475D-03 -0.160099D-02  0.272185D-03  0.122847D-03
     37 -0.411863D-02  0.140269D-01 -0.211609D-01  0.141788D-01  0.183521D-02
     38  0.274677D-02 -0.375945D-01 -0.371965D-01  0.100051D-01  0.337616D-02
     39 -0.300279D-02  0.244417D-01  0.123752D-01 -0.428908D-02 -0.304167D-02
               11            12            13            14            15 
     11  0.457067D+00
     12 -0.157169D+00  0.950587D-01
     13 -0.435375D-02  0.767549D-03  0.577479D+00
     14  0.235514D-02 -0.295639D-03  0.635867D-01  0.410176D+00
     15 -0.181746D-02  0.260672D-02 -0.152347D+00  0.204758D+00  0.469734D+00
     16 -0.426883D-01  0.262795D-01 -0.180993D-01  0.269298D-02 -0.637952D-02
     17 -0.774144D-01  0.443804D-01 -0.119441D-01  0.675786D-02 -0.412182D-02
     18  0.411179D-01 -0.375856D-02 -0.122274D-02  0.513389D-03  0.456193D-02
     19  0.371480D-03  0.364106D-02 -0.947111D-03 -0.117487D-01  0.169965D-01
     20  0.305041D-03 -0.153853D-02 -0.514445D-02 -0.204801D-01  0.262623D-01
     21 -0.129726D-02  0.232149D-02  0.148010D-02  0.258115D-02  0.289192D-02
     22  0.196080D-03 -0.377174D-03  0.178209D-02 -0.825651D-03 -0.206970D-03
     23  0.153325D-02  0.597457D-03  0.640189D-03  0.240254D-02  0.176759D-03
     24  0.726363D-03  0.522819D-03  0.981642D-04  0.178309D-02  0.269262D-03
     25  0.598701D-04 -0.401066D-03  0.190513D-03 -0.421136D-03 -0.111760D-02
     26  0.861572D-04  0.523108D-04  0.110900D-03  0.218241D-02  0.718070D-03
     27 -0.138958D-03  0.270958D-03 -0.344934D-03  0.728519D-03  0.199700D-02
     28 -0.323562D-03 -0.126365D-04 -0.730117D-03  0.258874D-02  0.214552D-02
     29  0.227245D-02  0.165925D-03  0.177390D-02 -0.234411D-02 -0.419019D-02
     30  0.547027D-03 -0.451021D-03  0.181930D-02 -0.370472D-02 -0.199069D-02
     31 -0.104788D-02  0.190697D-04 -0.384646D+00  0.291168D-01  0.137962D+00
     32  0.313490D-03 -0.772619D-03  0.474960D-01 -0.534599D-01 -0.408491D-01
     33 -0.103188D-02  0.648598D-03  0.998909D-01 -0.290754D-01 -0.637677D-01
     34  0.387371D-03  0.255584D-03 -0.506859D-01 -0.280652D-01 -0.557394D-02
     35 -0.753917D-04  0.369383D-03 -0.136311D-01 -0.132207D+00 -0.156284D+00
     36  0.359025D-03 -0.309661D-03  0.183224D-01 -0.195113D+00 -0.323069D+00
     37  0.120133D-01 -0.747329D-02  0.603302D-02 -0.206582D-02  0.387171D-02
     38 -0.172187D-02  0.538057D-02  0.625953D-03 -0.541436D-02 -0.118269D-02
     39  0.804580D-02  0.200743D-02  0.497556D-02 -0.249692D-02 -0.661445D-02
               16            17            18            19            20 
     16  0.483601D+00
     17  0.122018D+00  0.404096D+00
     18  0.392701D-01 -0.168951D+00  0.135054D+00
     19 -0.550254D-02  0.398707D-02  0.184888D-03  0.572173D-01
     20  0.176248D-02  0.849562D-03 -0.566179D-03 -0.244680D-02  0.856019D-01
     21 -0.159201D-02 -0.183991D-03  0.263743D-03  0.154302D-01 -0.819194D-01
     22 -0.255078D-03  0.744234D-03 -0.726431D-03  0.517176D-03 -0.388113D-03
     23  0.694227D-03 -0.365163D-03  0.136476D-02 -0.104295D-02  0.951075D-03
     24  0.951225D-03 -0.672525D-03  0.172250D-02 -0.782390D-04  0.103491D-02
     25 -0.861133D-04  0.880618D-04 -0.539976D-03 -0.328341D-03  0.232693D-02
     26 -0.197080D-03 -0.238256D-03  0.138920D-03  0.198246D-02 -0.305857D-02
     27  0.489219D-03 -0.882175D-03  0.955924D-03  0.193198D-02 -0.330931D-02
     28 -0.195970D-03 -0.392072D-03  0.557719D-03  0.499259D-03 -0.434125D-03
     29  0.639322D-03  0.826376D-03 -0.494141D-03 -0.105004D-03  0.824768D-03
     30  0.153742D-03  0.389671D-03 -0.879678D-04 -0.596102D-03  0.521071D-03
     31 -0.393622D-03 -0.331712D-04 -0.629271D-03  0.123687D-03  0.801240D-03
     32  0.165229D-02  0.224819D-02  0.447821D-03 -0.124682D-02 -0.193085D-02
     33 -0.341481D-02 -0.221225D-02 -0.768484D-03  0.120746D-02  0.115411D-02
     34 -0.183105D-02  0.131875D-02  0.787720D-03  0.596208D-03 -0.660169D-03
     35  0.150498D-02 -0.298556D-03 -0.758967D-03  0.146664D-02  0.221104D-02
     36 -0.836890D-03  0.102435D-02  0.593428D-03 -0.251422D-05  0.692359D-03
     37 -0.323251D+00 -0.169233D+00  0.200824D-01 -0.124080D-02 -0.179408D-02
     38 -0.139623D+00 -0.129057D+00  0.248246D-01 -0.124766D-02 -0.646333D-03
     39  0.451270D-02  0.186375D-01 -0.290181D-01 -0.366068D-03 -0.229454D-03
               21            22            23            24            25 
     21  0.298577D+00
     22  0.323976D-03  0.306885D+00
     23  0.487868D-03 -0.471483D-01  0.564758D-01
     24  0.124411D-02  0.713182D-01 -0.103569D-01  0.691509D-01
     25  0.181616D-02  0.511726D-03  0.999566D-02 -0.295394D-01  0.487674D-01
     26 -0.310500D-02 -0.247645D-03 -0.245514D-02  0.397720D-02 -0.518837D-02
     27 -0.814158D-03 -0.338819D-03  0.230840D-02 -0.678292D-02  0.643921D-02
     28 -0.291946D-03 -0.144373D-01 -0.259655D-01  0.271808D-02  0.662800D-03
     29 -0.174333D-03  0.326417D-02  0.684052D-02 -0.691045D-03 -0.411826D-02
     30  0.374573D-03 -0.429984D-02 -0.811186D-02 -0.235810D-03  0.163256D-01
     31 -0.143132D-03  0.305628D-03 -0.705004D-03 -0.673338D-03 -0.179508D-04
     32  0.313607D-03  0.105530D-02 -0.871977D-03  0.352570D-03 -0.659915D-04
     33 -0.142553D-03 -0.208353D-03  0.284752D-03  0.522596D-03 -0.652619D-03
     34  0.723583D-03  0.235537D-03 -0.173066D-03  0.106727D-03 -0.183030D-03
     35  0.413390D-03  0.620857D-04  0.272877D-03  0.134698D-03 -0.153149D-03
     36  0.196827D-02  0.347080D-04 -0.167525D-04 -0.651958D-04  0.184370D-04
     37  0.297061D-03 -0.402220D-03  0.626320D-03  0.356395D-03  0.276911D-03
     38 -0.437111D-03 -0.226916D-03  0.272083D-03  0.721012D-04  0.290942D-03
     39  0.178703D-03 -0.283433D-04 -0.437772D-04 -0.310036D-03  0.263345D-03
               26            27            28            29            30 
     26  0.779937D-01
     27 -0.842900D-01  0.307186D+00
     28  0.272286D-02 -0.839832D-05  0.126425D+00
     29 -0.748942D-02  0.641211D-03  0.129389D+00  0.266566D+00
     30  0.264117D-01 -0.842803D-03 -0.121140D-01 -0.164601D-01  0.498584D-01
     31 -0.526466D-03 -0.566611D-03 -0.595904D-04  0.644193D-03  0.307467D-03
     32  0.558889D-05 -0.383319D-03  0.436254D-03  0.212235D-03  0.234325D-03
     33  0.444882D-04 -0.587866D-03  0.116377D-03 -0.184020D-03 -0.934590D-03
     34  0.143295D-03 -0.746069D-04  0.527307D-03 -0.289275D-03 -0.669776D-04
     35  0.289146D-03  0.119197D-03  0.869606D-03 -0.120458D-02 -0.124901D-02
     36  0.171845D-03  0.436044D-03  0.556634D-04  0.480510D-03  0.626395D-03
     37  0.265136D-03  0.230818D-03  0.228469D-03 -0.649386D-03 -0.204225D-03
     38 -0.151714D-03 -0.201427D-03 -0.582308D-04  0.540185D-04 -0.957416D-04
     39 -0.125690D-03 -0.323328D-03  0.102866D-04 -0.147925D-03 -0.209440D-03
               31            32            33            34            35 
     31  0.398035D+00
     32 -0.323111D-01  0.594308D-01
     33 -0.133488D+00  0.321541D-01  0.784434D-01
     34  0.102040D-02  0.214025D-01  0.341339D-01  0.510040D-01
     35  0.186977D-03 -0.219862D-02 -0.359156D-02  0.156565D-01  0.156629D+00
     36 -0.527307D-02 -0.397914D-02 -0.121445D-01 -0.121369D-01  0.187057D+00
     37 -0.616471D-03 -0.123723D-02  0.249213D-02  0.126526D-02 -0.150174D-02
     38 -0.552340D-03 -0.445005D-03 -0.106378D-03 -0.169849D-02  0.131258D-02
     39  0.147066D-02 -0.215268D-02  0.298257D-02 -0.260963D-02  0.160002D-02
               36            37            38            39 
     36  0.328761D+00
     37 -0.633851D-05  0.302918D+00
     38 -0.155470D-02  0.173657D+00  0.176031D+00
     39 -0.229640D-02 -0.293351D-01 -0.395378D-01  0.399326D-01
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.604504D+02  0.223203D+01 -0.239743D+00
      2   0.223203D+01  0.584483D+02 -0.243643D+01
      3  -0.239743D+00 -0.243643D+01  0.478311D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.296067D+01 -0.212270D+01 -0.693635D+01
      2   0.156502D+00 -0.590271D+01 -0.174577D+02
      3  -0.622152D+00  0.121681D+02  0.276688D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.386847D+02  0.311294D+01 -0.371850D+01
      2   0.194936D+02  0.824356D+01  0.348146D+01
      3   0.191910D+02 -0.113565D+02  0.237035D+00
      4   0.213925D+02 -0.272576D+02 -0.180459D+02
      5  -0.173125D+01 -0.178310D+02 -0.341560D+02
      6  -0.111223D+02  0.424001D+01  0.782779D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.622633D+01 -0.223269D+01  0.164946D+01 -0.804729D+00 -0.336429D+01
      2  -0.223269D+01 -0.354780D+01 -0.970289D+00 -0.336429D+01 -0.252966D+01
      3   0.164946D+01 -0.970289D+00 -0.547295D+00 -0.117493D+01  0.111484D+01
                 6             7             8             9            10 
      1  -0.117493D+01  0.332415D+01 -0.144959D+01 -0.380173D+00 -0.361970D+01
      2   0.111484D+01 -0.144959D+01  0.163904D+01  0.229762D+01  0.603222D+00
      3   0.273955D+01 -0.380173D+00  0.229762D+01 -0.543219D+01 -0.101818D+01
                11            12            13            14            15 
      1   0.603222D+00 -0.101818D+01 -0.194222D+00  0.281256D+01  0.160698D+01
      2   0.288379D+01  0.773883D+00  0.281256D+01  0.108082D+01 -0.568473D-01
      3   0.773883D+00  0.609756D+00  0.160698D+01 -0.568473D-01 -0.286524D+01
                16            17            18            19            20 
      1  -0.264704D+01  0.976868D+00  0.359792D+00  0.647214D+00 -0.204443D+01
      2   0.976868D+00 -0.394276D+00 -0.361151D+01 -0.204443D+01 -0.237471D+01
      3   0.359792D+00 -0.361151D+01  0.538956D+01  0.179321D+01  0.100915D+01
                21            22            23            24            25 
      1   0.179321D+01 -0.398424D+01 -0.316443D+01  0.103280D+01  0.261291D+01
      2   0.100915D+01 -0.316443D+01 -0.161216D+01 -0.640033D-01  0.129831D+01
      3  -0.187706D+00  0.103280D+01 -0.640033D-01 -0.138891D+00 -0.345086D+00
                26            27            28            29            30 
      1   0.129831D+01 -0.345086D+00  0.873064D+01  0.403042D+01 -0.207496D+01
      2  -0.324932D+00  0.528192D+00  0.403042D+01  0.361732D+01 -0.949230D+00
      3   0.528192D+00 -0.585380D+00 -0.207496D+01 -0.949230D+00  0.183482D+01
                31            32            33            34            35 
      1   0.478896D+01  0.370854D+01 -0.683052D+00 -0.190416D+01 -0.530717D+00
      2   0.370854D+01  0.700624D+01 -0.114035D+01 -0.530717D+00 -0.832569D+00
      3  -0.683052D+00 -0.114035D+01  0.193825D+01  0.282488D+01  0.210410D+01
                36            37            38            39            40 
      1   0.282488D+01  0.496180D+01 -0.513299D+00 -0.720285D+00 -0.940017D+00
      2   0.210410D+01 -0.513299D+00 -0.112938D+01  0.555534D+00 -0.121911D+01
      3  -0.228839D+01 -0.720285D+00  0.555534D+00 -0.273748D+00  0.211564D+00
                41            42            43            44            45 
      1  -0.121911D+01  0.211564D+00 -0.848219D+00  0.825572D+00 -0.131922D+00
      2  -0.302941D+01  0.121583D+01  0.825572D+00  0.307742D+01  0.237937D+01
      3   0.121583D+01  0.220551D+01 -0.131922D+00  0.237937D+01  0.233303D+01
                46            47            48            49            50 
      1   0.627876D+01 -0.838489D+00  0.180937D+01  0.197839D+01  0.283401D+01
      2  -0.838489D+00  0.308028D+01 -0.986474D+00  0.283401D+01 -0.349228D+01
      3   0.180937D+01 -0.986474D+00  0.119356D+01 -0.157861D+00  0.732596D+00
                51            52            53            54            55 
      1  -0.157861D+00  0.319129D+00 -0.103249D+01  0.102736D+01  0.404321D-01
      2   0.732596D+00 -0.103249D+01  0.950650D+00 -0.173898D+01  0.333595D+00
      3  -0.650951D+00  0.102736D+01 -0.173898D+01  0.257223D+01 -0.957585D+00
                56            57            58            59            60 
      1   0.333595D+00 -0.957585D+00  0.614148D+00 -0.545766D+00 -0.138655D+00
      2  -0.552158D+00 -0.138765D+00 -0.545766D+00  0.172214D+01 -0.153163D+01
      3  -0.138765D+00 -0.431274D+00 -0.138655D+00 -0.153163D+01  0.218848D+01
                61            62            63            64            65 
      1  -0.120715D+01 -0.184549D+00 -0.297707D+00 -0.924048D+01  0.260511D+01
      2  -0.184549D+00 -0.224793D+01  0.218130D+01  0.260511D+01 -0.199958D+01
      3  -0.297707D+00  0.218130D+01 -0.800379D+01 -0.655790D+00  0.372583D-01
                66            67            68            69            70 
      1  -0.655790D+00  0.128987D+01 -0.121305D+01  0.250075D+00 -0.209568D+01
      2   0.372583D-01 -0.121305D+01  0.146986D+01 -0.293008D+00  0.578927D+00
      3  -0.139052D+01  0.250075D+00 -0.293008D+00  0.188976D-01 -0.107123D+01
                71            72            73            74            75 
      1   0.578927D+00 -0.107123D+01 -0.676346D+00  0.127563D+00  0.724424D+00
      2  -0.915222D+00  0.770998D-01  0.127563D+00  0.439348D+00  0.176671D+00
      3   0.770998D-01 -0.154702D+00  0.724424D+00  0.176671D+00  0.163144D+00
                76            77            78            79            80 
      1  -0.460159D+00  0.314438D+00  0.399769D+00  0.122467D+01 -0.653960D-01
      2   0.314438D+00 -0.532263D+00  0.736843D+00 -0.653960D-01  0.157728D+01
      3   0.399769D+00  0.736843D+00 -0.198707D+01 -0.740784D+00 -0.247939D+00
                81            82            83            84            85 
      1  -0.740784D+00  0.100954D+01  0.134219D+01 -0.130227D+00  0.179636D+01
      2  -0.247939D+00  0.134219D+01  0.306233D+01  0.444307D+00  0.162989D+01
      3   0.809220D+01 -0.130227D+00  0.444307D+00  0.828463D+00  0.676366D-01
                86            87            88            89            90 
      1   0.162989D+01  0.676366D-01 -0.371070D+00  0.258092D+00  0.304901D+00
      2   0.729253D+01  0.349889D+00  0.258092D+00 -0.370714D+00  0.694626D+00
      3   0.349889D+00  0.947480D+00  0.304901D+00  0.694626D+00  0.471437D+00
                91            92            93            94            95 
      1  -0.898896D+01 -0.151606D+01  0.105315D+01 -0.172049D+00 -0.576222D+00
      2  -0.151606D+01 -0.168398D+01 -0.205921D+00 -0.576222D+00 -0.224889D+00
      3   0.105315D+01 -0.205921D+00 -0.132156D+01 -0.351693D+00  0.157911D+00
                96            97            98            99           100 
      1  -0.351693D+00  0.281982D+01  0.380517D-01 -0.747667D+00 -0.429963D+00
      2   0.157911D+00  0.380517D-01  0.615440D+00 -0.303073D+00 -0.718460D+00
      3  -0.394469D-01 -0.747667D+00 -0.303073D+00  0.588973D+00 -0.504521D+00
               101           102           103           104           105 
      1  -0.718460D+00 -0.504521D+00 -0.112255D+01 -0.878608D+00 -0.765606D+00
      2  -0.213974D+00 -0.354309D+00 -0.878608D+00 -0.366791D+01 -0.219818D+01
      3  -0.354309D+00  0.229523D+00 -0.765606D+00 -0.219818D+01 -0.308900D+01
               106           107           108           109           110 
      1  -0.127900D+01 -0.865861D+00 -0.778643D+00 -0.493926D+01 -0.117868D+01
      2  -0.865861D+00 -0.370016D+01 -0.347213D+01 -0.117868D+01 -0.158148D+01
      3  -0.778643D+00 -0.347213D+01 -0.432807D+01 -0.968067D+00  0.608181D+00
               111           112           113           114           115 
      1  -0.968067D+00 -0.278977D+01 -0.337967D+00 -0.297038D+00  0.516352D-01
      2   0.608181D+00 -0.337967D+00 -0.348303D+01  0.976119D+00  0.152780D+00
      3  -0.707157D+00 -0.297038D+00  0.976119D+00 -0.126757D+01 -0.237101D-01
               116           117 
      1   0.152780D+00 -0.237101D-01
      2   0.925967D+00 -0.888675D+00
      3  -0.888675D+00  0.134511D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.403230D+01 -0.861979D+00  0.117070D+00  0.751392D+00 -0.496297D+01
      2  -0.552179D+01  0.358514D+01  0.218973D+01  0.351379D+01  0.270582D+00
      3   0.431076D+01 -0.101692D+02  0.964965D+00 -0.430027D+01 -0.104665D+02
                 6             7             8             9            10 
      1  -0.649405D+01 -0.184748D+00 -0.644992D+00  0.909631D+01  0.442723D+00
      2  -0.323468D+01 -0.224494D+01 -0.250803D+01  0.736495D+01 -0.399866D+01
      3  -0.536962D+00  0.152276D+01  0.358038D-01  0.331757D+01 -0.251057D+01
                11            12            13            14            15 
      1  -0.109269D+01  0.164284D+01  0.706581D+00 -0.236853D+01  0.242840D+01
      2   0.189302D+01  0.238816D+01 -0.129443D+01  0.165300D+01  0.106140D+01
      3  -0.204279D+01 -0.230426D+01  0.259481D+01  0.471276D+01 -0.208446D+01
                16            17            18            19            20 
      1  -0.312919D+00  0.486774D+01 -0.578921D+00  0.217900D+01 -0.186391D-01
      2  -0.531753D+01  0.240528D+01 -0.167962D+01  0.426794D+01 -0.311723D+01
      3  -0.911935D+00 -0.345056D+00 -0.172593D+01 -0.237599D+01  0.515906D+01
                21            22            23            24            25 
      1   0.226559D+01 -0.257893D+01  0.784611D+01  0.319917D+01 -0.316682D+01
      2  -0.629059D+01 -0.646038D+01  0.578554D+00 -0.291894D+01 -0.138209D+02
      3   0.120645D+01  0.789474D+01  0.461178D+01  0.144472D+01  0.506870D+01
                26            27            28            29            30 
      1   0.734964D+01 -0.768188D+01 -0.822913D+00 -0.195285D+01 -0.447271D+01
      2   0.132406D+01 -0.156782D+01  0.118704D+01  0.550574D-01  0.893582D+01
      3   0.194056D+00  0.114715D+01  0.176108D+01 -0.109043D+02  0.104197D+01
                31            32            33            34            35 
      1   0.629031D+00 -0.310029D+01 -0.607090D+01  0.151802D+01  0.241999D+01
      2   0.383097D+01 -0.150654D+01  0.455676D+01  0.202468D+01  0.157768D+01
      3   0.178801D+01 -0.106720D+02  0.695281D+00 -0.156075D+01  0.109232D+01
                36            37            38            39            40 
      1   0.200069D+01 -0.206269D+01  0.229728D+01 -0.836424D+00  0.190331D+01
      2  -0.194889D+01  0.145382D+01 -0.143004D+01  0.324329D+01 -0.954250D+00
      3  -0.334481D+01 -0.109539D+02 -0.681239D+01  0.239047D+01  0.488903D+01
                41            42            43            44            45 
      1   0.527079D+01 -0.187587D+01  0.129561D+01  0.828962D+01  0.533315D+01
      2  -0.288930D+01 -0.263857D+01 -0.378445D+01 -0.389866D+01 -0.271859D+01
      3  -0.198625D+01  0.123775D+01  0.339054D+01  0.142209D+01  0.324910D+01
                46            47            48            49            50 
      1   0.290587D+01  0.266565D+01  0.329659D+01  0.313659D+01 -0.103264D+01
      2  -0.652161D+01 -0.246477D+01  0.486880D+01 -0.781576D+00  0.790634D-01
      3  -0.134077D+02 -0.100026D+02 -0.988912D+00 -0.473693D+01  0.661887D+00
                51            52            53            54            55 
      1  -0.394745D+01  0.249763D+01  0.145947D+01  0.342394D+01  0.213284D+00
      2  -0.933614D+00  0.140474D+01 -0.255673D+01  0.376508D+01  0.509882D+00
      3  -0.203841D+01 -0.230477D+01 -0.224785D+00  0.133839D+01  0.121684D+01
                56            57            58            59            60 
      1   0.213328D+00  0.218076D+00 -0.250371D+00 -0.642939D+00 -0.147288D+01
      2  -0.147618D+00  0.558123D+00  0.945363D+00  0.436759D+00 -0.124492D+01
      3  -0.118826D+01  0.995630D-01  0.145060D+01  0.318131D+00 -0.590900D+00
                61            62            63            64            65 
      1   0.748439D+00  0.260609D+01  0.337498D+01  0.138112D+01 -0.520876D+00
      2  -0.287922D+01 -0.151986D+01  0.384285D+01  0.463926D+01 -0.934421D+00
      3  -0.152222D+01 -0.133456D+01  0.433373D+00 -0.873162D+01 -0.283303D+01
                66            67            68            69            70 
      1   0.265354D+01 -0.746311D+00  0.772085D+00 -0.867510D+00  0.141659D+01
      2   0.534125D+01 -0.121702D+01  0.548295D+00 -0.446264D+00  0.104691D+01
      3  -0.128278D+01  0.163462D+01  0.838604D+00 -0.184863D+00 -0.132570D+01
                71            72            73            74            75 
      1   0.568722D+00  0.284511D+00 -0.100392D+01  0.350078D+00  0.115794D+00
      2   0.211598D-01  0.108033D+01 -0.598623D+00 -0.157221D+00  0.176239D+00
      3  -0.131058D+01 -0.146477D+01 -0.770943D+00  0.161618D-01  0.985875D+00
                76            77            78            79            80 
      1   0.775002D-01 -0.221937D+01  0.206419D+01  0.637050D+00  0.452143D+01
      2   0.290157D+00 -0.114362D+01  0.247705D+01 -0.257326D+01  0.857558D+00
      3   0.646701D+00 -0.156921D+00  0.136528D+01  0.138342D+01  0.214423D+01
                81            82            83            84            85 
      1  -0.112320D+02  0.148109D+01  0.993756D+00 -0.206198D+01  0.900215D+00
      2  -0.104770D+02 -0.622460D+00 -0.107564D+01  0.352075D-01 -0.115190D+01
      3  -0.154769D+01  0.534063D+01  0.494678D+01 -0.292042D+00  0.742391D+01
                86            87            88            89            90 
      1   0.339552D+01 -0.336695D+01 -0.677991D+00  0.192102D+00 -0.289258D+00
      2  -0.178970D+01 -0.626114D+00 -0.104773D+01 -0.652396D+00 -0.744219D+00
      3   0.117650D+02  0.507115D+00 -0.853207D+00  0.241200D+00  0.152191D+01
                91            92            93            94            95 
      1   0.314181D+01  0.200171D+00 -0.190524D+01 -0.439888D+00  0.678711D+00
      2  -0.214083D+01 -0.403371D+00  0.430120D+01  0.336001D+00 -0.612749D+00
      3   0.108946D+02 -0.292938D+01 -0.172332D+01 -0.154927D+00  0.111817D+01
                96            97            98            99           100 
      1  -0.185881D+00 -0.889554D+00 -0.769476D-01  0.724898D+00 -0.442065D-01
      2  -0.240841D+00  0.513173D+00  0.415410D+00 -0.149053D+01  0.233839D+00
      3   0.113877D+01 -0.462634D+01  0.180077D+01  0.261914D+00  0.934544D-01
               101           102           103           104           105 
      1  -0.103938D+00  0.362220D+00 -0.144501D+01 -0.214684D+01 -0.531178D+01
      2   0.312578D+00 -0.148880D+00  0.488974D+00  0.280476D+01  0.439104D+01
      3   0.856363D-02 -0.236935D+00  0.180880D+01 -0.362974D+01 -0.144038D+01
               106           107           108           109           110 
      1  -0.135408D+01 -0.272088D+01 -0.664995D+01 -0.377887D+01 -0.216929D+01
      2  -0.947884D+00  0.441625D+01  0.545147D+01  0.699182D+01  0.266661D+01
      3   0.129877D+01 -0.388721D+01 -0.356761D+01  0.140164D+02  0.752447D+01
               111           112           113           114           115 
      1  -0.139535D+01 -0.252374D+01 -0.271734D+00 -0.201611D+01 -0.410268D+00
      2  -0.168073D+01  0.245431D+01  0.157089D+01 -0.202296D+00 -0.259889D+01
      3   0.135687D+01  0.928622D+01  0.400122D+01  0.366572D+00  0.440743D+00
               116           117 
      1   0.394907D+00  0.975661D+00
      2  -0.997842D+00 -0.757555D+00
      3   0.171719D+00  0.381406D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.256378D+02  0.164379D+02 -0.376817D+01  0.150398D+02  0.108260D+02
      2   0.509931D+01 -0.155557D+02  0.544960D+00 -0.137566D+02 -0.149986D+02
      3   0.205385D+02 -0.882187D+00  0.322321D+01 -0.128324D+01  0.417258D+01
      4   0.205700D+02 -0.741320D+00  0.650252D+01  0.433451D+01 -0.494764D+01
      5  -0.339229D+01  0.150014D+01  0.275798D+01  0.209571D+01 -0.557474D+01
      6   0.453677D+01 -0.423698D+01 -0.102593D+01 -0.481749D+01  0.321027D+01
                 6             7             8             9            10 
      1  -0.223782D+01 -0.694679D+01 -0.969312D+00  0.302575D+01  0.807229D+01
      2  -0.145628D+01  0.812686D-01  0.467667D+00  0.141688D+02 -0.413900D+01
      3   0.369410D+01  0.686552D+01  0.501645D+00 -0.171946D+02 -0.393329D+01
      4  -0.473135D+01  0.101648D+02 -0.668957D+01 -0.866523D+01 -0.693834D+00
      5  -0.656923D+01  0.269333D+01 -0.685481D+01  0.124491D+02 -0.329181D+00
      6   0.770978D+01 -0.308796D+01  0.638961D+01 -0.519346D+01 -0.752998D+00
                11            12            13            14            15 
      1   0.268223D+01 -0.387428D+01 -0.635308D+01  0.343770D+01 -0.597032D+01
      2  -0.461783D+01  0.271875D+01  0.361801D+01 -0.385016D+01 -0.945702D+00
      3   0.193560D+01  0.115553D+01  0.273506D+01  0.412469D+00  0.691602D+01
      4  -0.354600D+01 -0.303670D+01 -0.130800D+02 -0.182156D+01  0.106284D+01
      5  -0.143637D+01 -0.460274D+00 -0.608944D+01  0.700708D+00  0.175689D+01
      6   0.398575D+01 -0.273189D+01 -0.226566D+00 -0.207047D+00 -0.121174D+02
                16            17            18            19            20 
      1   0.413287D+01 -0.230102D+01  0.797148D+01 -0.166131D+02 -0.331464D+01
      2   0.958643D+00 -0.716415D+01  0.506240D+01  0.770763D+01 -0.939356D+00
      3  -0.509151D+01  0.946517D+01 -0.130339D+02  0.890546D+01  0.425400D+01
      4  -0.481599D+01  0.572380D+01  0.878583D+01 -0.162399D+02 -0.179572D+02
      5  -0.427846D+00  0.622617D+01 -0.768965D+01  0.615136D+01  0.492015D+01
      6   0.368460D+01 -0.295995D+01  0.745034D+01 -0.433045D+00  0.122266D+00
                21            22            23            24            25 
      1   0.323001D+01 -0.157214D+02 -0.299122D+01 -0.134165D+01  0.455326D+01
      2  -0.186748D+01  0.103246D+02 -0.577232D+01 -0.610198D+01 -0.274590D+01
      3  -0.136253D+01  0.539675D+01  0.876353D+01  0.744362D+01 -0.180736D+01
      4   0.470501D+01 -0.160435D+02 -0.669818D+01 -0.148055D+01  0.825958D+01
      5  -0.117937D+02  0.848060D+01 -0.504764D+00 -0.548085D+01 -0.208933D+01
      6  -0.235355D+01 -0.775230D+00  0.449993D+01 -0.569685D+01  0.100390D+01
                26            27            28            29            30 
      1  -0.144701D+01 -0.585105D+01  0.395981D+02  0.100639D+02 -0.406217D+01
      2   0.589004D+01 -0.559512D+00 -0.202102D+02 -0.183372D+00  0.513418D+01
      3  -0.444302D+01  0.641056D+01 -0.193879D+02 -0.988054D+01 -0.107201D+01
      4  -0.433265D+01 -0.224236D+01  0.261890D+02  0.245508D+02 -0.447616D+01
      5  -0.179051D+00 -0.523918D+00 -0.113792D+02 -0.478174D+01  0.170824D+02
      6   0.461272D+01  0.622720D+01 -0.108702D+01 -0.136793D+01  0.546540D+01
                31            32            33            34            35 
      1   0.138339D+02  0.269903D+01  0.610504D+00 -0.469352D+01  0.941198D+00
      2  -0.348987D+01  0.105639D+02  0.151666D+01  0.414990D+01 -0.871954D-01
      3  -0.103440D+02 -0.132629D+02 -0.212717D+01  0.543626D+00 -0.854003D+00
      4   0.271807D+02  0.272762D+02 -0.412501D+01 -0.398189D+01 -0.298496D+01
      5  -0.456261D+01 -0.486707D+01  0.968079D+01  0.164372D+02  0.802902D+01
      6  -0.251652D+01 -0.236875D+01  0.875577D+01  0.450421D+01  0.698504D+01
                36            37            38            39            40 
      1   0.341401D+01 -0.167403D+02 -0.472650D+01  0.853575D+01  0.112843D+01
      2  -0.670419D+01  0.101945D+02  0.629604D+01 -0.701627D+01  0.225798D+01
      3   0.329017D+01  0.654576D+01 -0.156954D+01 -0.151948D+01 -0.338641D+01
      4   0.870692D+01 -0.814664D+01  0.776549D+01 -0.773573D+00  0.113460D+02
      5  -0.935506D+01  0.550829D+01 -0.263422D+01  0.616960D+01 -0.179818D+01
      6  -0.384237D+01  0.215854D+01 -0.346885D+01  0.180383D+01 -0.973117D+00
                41            42            43            44            45 
      1  -0.437454D+01  0.339717D+01  0.803983D+01  0.263416D+01  0.387063D+01
      2   0.148157D+02 -0.251339D+01 -0.781195D+01 -0.105348D+01 -0.676916D+01
      3  -0.104412D+02 -0.883777D+00 -0.227888D+00 -0.158068D+01  0.289853D+01
      4   0.992080D+01 -0.343378D+01 -0.933768D+00 -0.873844D+01 -0.559518D+01
      5  -0.378207D+01 -0.515224D+01  0.432059D+01 -0.698932D+01 -0.504672D+01
      6  -0.899976D+01  0.278311D+00 -0.154796D+01 -0.586593D+01 -0.117278D+02
                46            47            48            49            50 
      1   0.140935D+02  0.376264D+00 -0.415156D+00  0.411318D+01 -0.527190D+01
      2  -0.769209D+01 -0.475877D+01 -0.244706D+01 -0.695835D+01  0.133140D+02
      3  -0.640140D+01  0.438251D+01  0.286221D+01  0.284517D+01 -0.804213D+01
      4  -0.171796D+02  0.157410D+02 -0.562366D+01  0.107018D+02 -0.154214D+02
      5   0.510769D+01 -0.405196D+01  0.109799D+02 -0.235394D+01  0.436180D+01
      6  -0.336602D+01  0.285099D+01 -0.523765D+01  0.157851D+01 -0.440099D+01
                51            52            53            54            55 
      1   0.303085D+01 -0.180575D+01  0.339851D+01 -0.434363D+01 -0.128378D+00
      2   0.483044D+00  0.695160D-01 -0.236928D+01 -0.470974D+01 -0.230982D+01
      3  -0.351389D+01  0.173624D+01 -0.102923D+01  0.905337D+01  0.243819D+01
      4   0.301044D+01 -0.319702D+01  0.461012D+01 -0.688717D+01 -0.850311D+00
      5  -0.293986D+01  0.933182D+01 -0.581692D+01  0.948971D+01  0.149403D+01
      6   0.101313D+02 -0.363902D+01  0.824194D+01 -0.727532D+01 -0.202756D+01
                56            57            58            59            60 
      1  -0.688898D+00  0.191934D+01  0.108175D+01 -0.589559D+01  0.515206D+01
      2   0.623179D+00 -0.973090D+00 -0.398197D+00  0.170933D+01  0.275733D+00
      3   0.657198D-01 -0.946247D+00 -0.683554D+00  0.418626D+01 -0.542779D+01
      4   0.313922D+01 -0.124368D+01  0.366144D+01 -0.335909D+01  0.222969D+01
      5  -0.141801D+01  0.628545D+01 -0.675529D+00  0.211643D+01 -0.313459D+01
      6  -0.509895D+00  0.214251D+00  0.476537D+00 -0.613779D+01  0.100840D+02
                61            62            63            64            65 
      1  -0.358049D+00  0.527795D+01 -0.174165D+02  0.431590D+02 -0.829122D+01
      2  -0.611848D+00  0.242655D+01 -0.135493D+02 -0.160723D+02 -0.939449D+00
      3   0.969897D+00 -0.770450D+01  0.309658D+02 -0.270866D+02  0.923066D+01
      4  -0.815561D+00  0.356266D+01 -0.385835D+01 -0.307593D+02  0.165469D+02
      5   0.493235D+01 -0.285429D+01  0.107568D+02 -0.114544D+01  0.694113D+00
      6  -0.146892D+01  0.821483D+01 -0.132083D+02 -0.187082D+01 -0.325423D+00
                66            67            68            69            70 
      1   0.419981D+01 -0.403420D+01  0.266344D+01 -0.199830D+00  0.799845D+01
      2  -0.785894D+00 -0.152437D+01  0.361128D+01 -0.244053D+00 -0.276458D+01
      3  -0.341391D+01  0.555857D+01 -0.627471D+01  0.443883D+00 -0.523387D+01
      4  -0.226005D+01  0.118832D+02 -0.781964D+01  0.167665D+01 -0.592838D+01
      5   0.748139D+01  0.162344D+00  0.825342D+00 -0.467320D+00  0.672980D+01
      6  -0.455228D+01  0.549471D+00 -0.776320D-01  0.152888D+01 -0.351732D+01
                71            72            73            74            75 
      1  -0.330671D+00  0.358378D+01  0.293697D+01 -0.168446D+01 -0.229489D+01
      2  -0.141464D+01 -0.370242D+01 -0.310499D+01  0.146702D+01  0.149944D+01
      3   0.174531D+01  0.118638D+00  0.168018D+00  0.217439D+00  0.795452D+00
      4   0.445347D+01 -0.289057D+01 -0.224538D+01  0.915196D+00  0.508462D+00
      5  -0.113585D+01  0.216752D+01 -0.178344D+01 -0.603170D+00  0.475229D+01
      6   0.166590D+01 -0.119473D+01  0.443097D+00  0.810048D+00  0.380354D-01
                76            77            78            79            80 
      1  -0.827618D-01 -0.249344D+01  0.702890D+00 -0.278425D+01 -0.139485D+01
      2   0.677666D-01  0.142981D+00  0.493064D+01  0.314211D+01  0.468185D+01
      3   0.149952D-01  0.235046D+01 -0.563353D+01 -0.357862D+00 -0.328700D+01
      4   0.163298D+00  0.232486D+01 -0.202377D+01  0.224758D+01 -0.420418D+01
      5  -0.237657D+01 -0.162395D+01  0.472106D+01  0.710091D+01  0.980224D+00
      6   0.206722D+00 -0.114360D+01  0.198868D+01 -0.102851D+01  0.436553D+01
                81            82            83            84            85 
      1  -0.121326D+02 -0.216135D+01 -0.101748D+02 -0.739715D+00 -0.867505D+01
      2  -0.180514D+02  0.570640D+01  0.145514D+02  0.202489D+00  0.987910D+01
      3   0.301840D+02 -0.354505D+01 -0.437660D+01  0.537226D+00 -0.120405D+01
      4   0.159114D+01  0.243641D+01  0.207729D+01 -0.790427D+00  0.511657D+01
      5  -0.199090D+02  0.177958D+01  0.113207D+01 -0.355798D+00  0.203108D+01
      6   0.130238D+02  0.275398D+00  0.270007D+01  0.331989D+01  0.162027D+01
                86            87            88            89            90 
      1  -0.236474D+02 -0.133220D+01  0.505581D+00  0.404423D-01 -0.368560D+01
      2   0.384507D+02  0.571419D+00 -0.538768D-01 -0.112330D+01  0.195700D+01
      3  -0.148033D+02  0.760785D+00 -0.451705D+00  0.108285D+01  0.172860D+01
      4  -0.603132D+01 -0.122967D-01 -0.147048D+01  0.921951D+00  0.659969D+00
      5   0.197066D+01 -0.130681D+01  0.928394D+00 -0.201196D+00 -0.115743D+01
      6   0.543363D+01  0.624788D+01  0.209781D+01  0.563552D+01  0.533545D+00
                91            92            93            94            95 
      1   0.396555D+02  0.400950D+01 -0.603718D+01 -0.772636D+00  0.160568D+01
      2  -0.203423D+02 -0.217049D+00  0.286620D+01  0.150068D+01  0.358073D+00
      3  -0.193132D+02 -0.379245D+01  0.317097D+01 -0.728047D+00 -0.196375D+01
      4   0.179547D+02  0.872805D+01 -0.152564D+01  0.502762D+01  0.919575D+00
      5  -0.263192D+01  0.549771D+00  0.623278D+01  0.171767D+01 -0.671600D+00
      6  -0.223348D+01  0.866877D+00  0.312998D+01  0.647455D+00 -0.141487D+00
                96            97            98            99           100 
      1   0.157094D+01 -0.108632D+02  0.368441D-03  0.275625D+01  0.140331D+01
      2  -0.112270D+01  0.693876D+01 -0.669452D+00 -0.231373D+01 -0.648520D+00
      3  -0.448239D+00  0.392448D+01  0.669083D+00 -0.442515D+00 -0.754794D+00
      4  -0.232776D+00 -0.472343D+01 -0.100694D+01  0.134465D+01  0.313810D+01
      5  -0.192346D+00  0.450721D+01  0.917829D+00 -0.244270D+01  0.183944D+01
      6   0.127893D+01  0.104273D+01  0.191248D+01 -0.104035D+01  0.215082D+01
               101           102           103           104           105 
      1   0.147383D+01  0.139081D+01  0.194178D+01 -0.706356D+01 -0.451097D+01
      2  -0.101433D+00 -0.176687D-01 -0.636969D+00  0.820244D+01  0.402265D+01
      3  -0.137239D+01 -0.137314D+01 -0.130481D+01 -0.113888D+01  0.488318D+00
      4   0.427838D+01  0.308271D+01  0.593754D+01  0.100345D+02  0.671397D+01
      5   0.271593D+01  0.271564D+01  0.379247D+01  0.716558D+01  0.950657D+01
      6   0.804950D+00  0.133656D+00  0.382102D+01  0.124598D+02  0.136581D+02
               106           107           108           109           110 
      1   0.219503D+01 -0.707868D+01 -0.960170D+01 -0.703707D+01 -0.318710D+01
      2  -0.111054D+01  0.424357D+01  0.177119D+01  0.551102D+01  0.288734D+01
      3  -0.108450D+01  0.283511D+01  0.783051D+01  0.152606D+01  0.299760D+00
      4   0.497773D+01  0.988254D+01  0.861601D+01  0.805897D+01 -0.304958D+01
      5   0.528443D+01  0.102471D+02  0.124458D+02 -0.145861D+01  0.976871D+00
      6   0.343065D+01  0.153576D+02  0.173452D+02  0.220631D+01 -0.223187D+01
               111           112           113           114           115 
      1   0.159618D+01 -0.298775D+01 -0.845974D+01  0.275267D+01  0.186406D+00
      2   0.301264D+00  0.209221D+01  0.113837D+02 -0.266461D+01 -0.816811D-01
      3  -0.189745D+01  0.895536D+00 -0.292396D+01 -0.880636D-01 -0.104725D+00
      4   0.249476D+01  0.422121D+01 -0.214507D+01  0.110620D+01  0.216875D+00
      5  -0.401662D+01 -0.423604D+00 -0.116326D+00 -0.422065D+00  0.701519D+00
      6   0.179625D+01  0.169198D+00 -0.456297D+01  0.398370D+01  0.757814D+00
               116           117 
      1   0.285321D+01 -0.347821D+01
      2  -0.220390D+01  0.151264D+01
      3  -0.649306D+00  0.196557D+01
      4  -0.119780D+01  0.434342D+00
      5  -0.136854D+00 -0.142422D+01
      6   0.389293D+01 -0.353409D+01
 Leave Link  716 at Thu Aug 12 19:30:57 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.604504D+02  0.223203D+01 -0.239743D+00
      2   0.223203D+01  0.584483D+02 -0.243643D+01
      3  -0.239743D+00 -0.243643D+01  0.478311D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.296067D+01 -0.212270D+01 -0.693635D+01
      2   0.156502D+00 -0.590271D+01 -0.174577D+02
      3  -0.622152D+00  0.121681D+02  0.276688D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.386847D+02  0.311294D+01 -0.371850D+01
      2   0.194936D+02  0.824356D+01  0.348146D+01
      3   0.191910D+02 -0.113565D+02  0.237035D+00
      4   0.213925D+02 -0.272576D+02 -0.180459D+02
      5  -0.173125D+01 -0.178310D+02 -0.341560D+02
      6  -0.111223D+02  0.424001D+01  0.782779D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.622633D+01 -0.223269D+01  0.164946D+01 -0.804729D+00 -0.336429D+01
      2  -0.223269D+01 -0.354780D+01 -0.970289D+00 -0.336429D+01 -0.252966D+01
      3   0.164946D+01 -0.970289D+00 -0.547295D+00 -0.117493D+01  0.111484D+01
                 6             7             8             9            10 
      1  -0.117493D+01  0.332415D+01 -0.144959D+01 -0.380173D+00 -0.361970D+01
      2   0.111484D+01 -0.144959D+01  0.163904D+01  0.229762D+01  0.603222D+00
      3   0.273955D+01 -0.380173D+00  0.229762D+01 -0.543219D+01 -0.101818D+01
                11            12            13            14            15 
      1   0.603222D+00 -0.101818D+01 -0.194222D+00  0.281256D+01  0.160698D+01
      2   0.288379D+01  0.773883D+00  0.281256D+01  0.108082D+01 -0.568473D-01
      3   0.773883D+00  0.609756D+00  0.160698D+01 -0.568473D-01 -0.286524D+01
                16            17            18            19            20 
      1  -0.264704D+01  0.976868D+00  0.359792D+00  0.647214D+00 -0.204443D+01
      2   0.976868D+00 -0.394276D+00 -0.361151D+01 -0.204443D+01 -0.237471D+01
      3   0.359792D+00 -0.361151D+01  0.538956D+01  0.179321D+01  0.100915D+01
                21            22            23            24            25 
      1   0.179321D+01 -0.398424D+01 -0.316443D+01  0.103280D+01  0.261291D+01
      2   0.100915D+01 -0.316443D+01 -0.161216D+01 -0.640033D-01  0.129831D+01
      3  -0.187706D+00  0.103280D+01 -0.640033D-01 -0.138891D+00 -0.345086D+00
                26            27            28            29            30 
      1   0.129831D+01 -0.345086D+00  0.873064D+01  0.403042D+01 -0.207496D+01
      2  -0.324932D+00  0.528192D+00  0.403042D+01  0.361732D+01 -0.949230D+00
      3   0.528192D+00 -0.585380D+00 -0.207496D+01 -0.949230D+00  0.183482D+01
                31            32            33            34            35 
      1   0.478896D+01  0.370854D+01 -0.683052D+00 -0.190416D+01 -0.530717D+00
      2   0.370854D+01  0.700624D+01 -0.114035D+01 -0.530717D+00 -0.832569D+00
      3  -0.683052D+00 -0.114035D+01  0.193825D+01  0.282488D+01  0.210410D+01
                36            37            38            39            40 
      1   0.282488D+01  0.496180D+01 -0.513299D+00 -0.720285D+00 -0.940017D+00
      2   0.210410D+01 -0.513299D+00 -0.112938D+01  0.555534D+00 -0.121911D+01
      3  -0.228839D+01 -0.720285D+00  0.555534D+00 -0.273748D+00  0.211564D+00
                41            42            43            44            45 
      1  -0.121911D+01  0.211564D+00 -0.848219D+00  0.825572D+00 -0.131922D+00
      2  -0.302941D+01  0.121583D+01  0.825572D+00  0.307742D+01  0.237937D+01
      3   0.121583D+01  0.220551D+01 -0.131922D+00  0.237937D+01  0.233303D+01
                46            47            48            49            50 
      1   0.627876D+01 -0.838489D+00  0.180937D+01  0.197839D+01  0.283401D+01
      2  -0.838489D+00  0.308028D+01 -0.986474D+00  0.283401D+01 -0.349228D+01
      3   0.180937D+01 -0.986474D+00  0.119356D+01 -0.157861D+00  0.732596D+00
                51            52            53            54            55 
      1  -0.157861D+00  0.319129D+00 -0.103249D+01  0.102736D+01  0.404321D-01
      2   0.732596D+00 -0.103249D+01  0.950650D+00 -0.173898D+01  0.333595D+00
      3  -0.650951D+00  0.102736D+01 -0.173898D+01  0.257223D+01 -0.957585D+00
                56            57            58            59            60 
      1   0.333595D+00 -0.957585D+00  0.614148D+00 -0.545766D+00 -0.138655D+00
      2  -0.552158D+00 -0.138765D+00 -0.545766D+00  0.172214D+01 -0.153163D+01
      3  -0.138765D+00 -0.431274D+00 -0.138655D+00 -0.153163D+01  0.218848D+01
                61            62            63            64            65 
      1  -0.120715D+01 -0.184549D+00 -0.297707D+00 -0.924048D+01  0.260511D+01
      2  -0.184549D+00 -0.224793D+01  0.218130D+01  0.260511D+01 -0.199958D+01
      3  -0.297707D+00  0.218130D+01 -0.800379D+01 -0.655790D+00  0.372583D-01
                66            67            68            69            70 
      1  -0.655790D+00  0.128987D+01 -0.121305D+01  0.250075D+00 -0.209568D+01
      2   0.372583D-01 -0.121305D+01  0.146986D+01 -0.293008D+00  0.578927D+00
      3  -0.139052D+01  0.250075D+00 -0.293008D+00  0.188976D-01 -0.107123D+01
                71            72            73            74            75 
      1   0.578927D+00 -0.107123D+01 -0.676346D+00  0.127563D+00  0.724424D+00
      2  -0.915222D+00  0.770998D-01  0.127563D+00  0.439348D+00  0.176671D+00
      3   0.770998D-01 -0.154702D+00  0.724424D+00  0.176671D+00  0.163144D+00
                76            77            78            79            80 
      1  -0.460159D+00  0.314438D+00  0.399769D+00  0.122467D+01 -0.653960D-01
      2   0.314438D+00 -0.532263D+00  0.736843D+00 -0.653960D-01  0.157728D+01
      3   0.399769D+00  0.736843D+00 -0.198707D+01 -0.740784D+00 -0.247939D+00
                81            82            83            84            85 
      1  -0.740784D+00  0.100954D+01  0.134219D+01 -0.130227D+00  0.179636D+01
      2  -0.247939D+00  0.134219D+01  0.306233D+01  0.444307D+00  0.162989D+01
      3   0.809220D+01 -0.130227D+00  0.444307D+00  0.828463D+00  0.676366D-01
                86            87            88            89            90 
      1   0.162989D+01  0.676366D-01 -0.371070D+00  0.258092D+00  0.304901D+00
      2   0.729253D+01  0.349889D+00  0.258092D+00 -0.370714D+00  0.694626D+00
      3   0.349889D+00  0.947480D+00  0.304901D+00  0.694626D+00  0.471437D+00
                91            92            93            94            95 
      1  -0.898896D+01 -0.151606D+01  0.105315D+01 -0.172049D+00 -0.576222D+00
      2  -0.151606D+01 -0.168398D+01 -0.205921D+00 -0.576222D+00 -0.224889D+00
      3   0.105315D+01 -0.205921D+00 -0.132156D+01 -0.351693D+00  0.157911D+00
                96            97            98            99           100 
      1  -0.351693D+00  0.281982D+01  0.380517D-01 -0.747667D+00 -0.429963D+00
      2   0.157911D+00  0.380517D-01  0.615440D+00 -0.303073D+00 -0.718460D+00
      3  -0.394469D-01 -0.747667D+00 -0.303073D+00  0.588973D+00 -0.504521D+00
               101           102           103           104           105 
      1  -0.718460D+00 -0.504521D+00 -0.112255D+01 -0.878608D+00 -0.765606D+00
      2  -0.213974D+00 -0.354309D+00 -0.878608D+00 -0.366791D+01 -0.219818D+01
      3  -0.354309D+00  0.229523D+00 -0.765606D+00 -0.219818D+01 -0.308900D+01
               106           107           108           109           110 
      1  -0.127900D+01 -0.865861D+00 -0.778643D+00 -0.493926D+01 -0.117868D+01
      2  -0.865861D+00 -0.370016D+01 -0.347213D+01 -0.117868D+01 -0.158148D+01
      3  -0.778643D+00 -0.347213D+01 -0.432807D+01 -0.968067D+00  0.608181D+00
               111           112           113           114           115 
      1  -0.968067D+00 -0.278977D+01 -0.337967D+00 -0.297038D+00  0.516352D-01
      2   0.608181D+00 -0.337967D+00 -0.348303D+01  0.976119D+00  0.152780D+00
      3  -0.707157D+00 -0.297038D+00  0.976119D+00 -0.126757D+01 -0.237101D-01
               116           117 
      1   0.152780D+00 -0.237101D-01
      2   0.925967D+00 -0.888675D+00
      3  -0.888675D+00  0.134511D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.403230D+01 -0.861979D+00  0.117070D+00  0.751392D+00 -0.496297D+01
      2  -0.552179D+01  0.358514D+01  0.218973D+01  0.351379D+01  0.270582D+00
      3   0.431076D+01 -0.101692D+02  0.964965D+00 -0.430027D+01 -0.104665D+02
                 6             7             8             9            10 
      1  -0.649405D+01 -0.184748D+00 -0.644992D+00  0.909631D+01  0.442723D+00
      2  -0.323468D+01 -0.224494D+01 -0.250803D+01  0.736495D+01 -0.399866D+01
      3  -0.536962D+00  0.152276D+01  0.358038D-01  0.331757D+01 -0.251057D+01
                11            12            13            14            15 
      1  -0.109269D+01  0.164284D+01  0.706581D+00 -0.236853D+01  0.242840D+01
      2   0.189302D+01  0.238816D+01 -0.129443D+01  0.165300D+01  0.106140D+01
      3  -0.204279D+01 -0.230426D+01  0.259481D+01  0.471276D+01 -0.208446D+01
                16            17            18            19            20 
      1  -0.312919D+00  0.486774D+01 -0.578921D+00  0.217900D+01 -0.186391D-01
      2  -0.531753D+01  0.240528D+01 -0.167962D+01  0.426794D+01 -0.311723D+01
      3  -0.911935D+00 -0.345056D+00 -0.172593D+01 -0.237599D+01  0.515906D+01
                21            22            23            24            25 
      1   0.226559D+01 -0.257893D+01  0.784611D+01  0.319917D+01 -0.316682D+01
      2  -0.629059D+01 -0.646038D+01  0.578554D+00 -0.291894D+01 -0.138209D+02
      3   0.120645D+01  0.789474D+01  0.461178D+01  0.144472D+01  0.506870D+01
                26            27            28            29            30 
      1   0.734964D+01 -0.768188D+01 -0.822913D+00 -0.195285D+01 -0.447271D+01
      2   0.132406D+01 -0.156782D+01  0.118704D+01  0.550574D-01  0.893582D+01
      3   0.194056D+00  0.114715D+01  0.176108D+01 -0.109043D+02  0.104197D+01
                31            32            33            34            35 
      1   0.629031D+00 -0.310029D+01 -0.607090D+01  0.151802D+01  0.241999D+01
      2   0.383097D+01 -0.150654D+01  0.455676D+01  0.202468D+01  0.157768D+01
      3   0.178801D+01 -0.106720D+02  0.695281D+00 -0.156075D+01  0.109232D+01
                36            37            38            39            40 
      1   0.200069D+01 -0.206269D+01  0.229728D+01 -0.836424D+00  0.190331D+01
      2  -0.194889D+01  0.145382D+01 -0.143004D+01  0.324329D+01 -0.954250D+00
      3  -0.334481D+01 -0.109539D+02 -0.681239D+01  0.239047D+01  0.488903D+01
                41            42            43            44            45 
      1   0.527079D+01 -0.187587D+01  0.129561D+01  0.828962D+01  0.533315D+01
      2  -0.288930D+01 -0.263857D+01 -0.378445D+01 -0.389866D+01 -0.271859D+01
      3  -0.198625D+01  0.123775D+01  0.339054D+01  0.142209D+01  0.324910D+01
                46            47            48            49            50 
      1   0.290587D+01  0.266565D+01  0.329659D+01  0.313659D+01 -0.103264D+01
      2  -0.652161D+01 -0.246477D+01  0.486880D+01 -0.781576D+00  0.790634D-01
      3  -0.134077D+02 -0.100026D+02 -0.988912D+00 -0.473693D+01  0.661887D+00
                51            52            53            54            55 
      1  -0.394745D+01  0.249763D+01  0.145947D+01  0.342394D+01  0.213284D+00
      2  -0.933614D+00  0.140474D+01 -0.255673D+01  0.376508D+01  0.509882D+00
      3  -0.203841D+01 -0.230477D+01 -0.224785D+00  0.133839D+01  0.121684D+01
                56            57            58            59            60 
      1   0.213328D+00  0.218076D+00 -0.250371D+00 -0.642939D+00 -0.147288D+01
      2  -0.147618D+00  0.558123D+00  0.945363D+00  0.436759D+00 -0.124492D+01
      3  -0.118826D+01  0.995630D-01  0.145060D+01  0.318131D+00 -0.590900D+00
                61            62            63            64            65 
      1   0.748439D+00  0.260609D+01  0.337498D+01  0.138112D+01 -0.520876D+00
      2  -0.287922D+01 -0.151986D+01  0.384285D+01  0.463926D+01 -0.934421D+00
      3  -0.152222D+01 -0.133456D+01  0.433373D+00 -0.873162D+01 -0.283303D+01
                66            67            68            69            70 
      1   0.265354D+01 -0.746311D+00  0.772085D+00 -0.867510D+00  0.141659D+01
      2   0.534125D+01 -0.121702D+01  0.548295D+00 -0.446264D+00  0.104691D+01
      3  -0.128278D+01  0.163462D+01  0.838604D+00 -0.184863D+00 -0.132570D+01
                71            72            73            74            75 
      1   0.568722D+00  0.284511D+00 -0.100392D+01  0.350078D+00  0.115794D+00
      2   0.211598D-01  0.108033D+01 -0.598623D+00 -0.157221D+00  0.176239D+00
      3  -0.131058D+01 -0.146477D+01 -0.770943D+00  0.161618D-01  0.985875D+00
                76            77            78            79            80 
      1   0.775002D-01 -0.221937D+01  0.206419D+01  0.637050D+00  0.452143D+01
      2   0.290157D+00 -0.114362D+01  0.247705D+01 -0.257326D+01  0.857558D+00
      3   0.646701D+00 -0.156921D+00  0.136528D+01  0.138342D+01  0.214423D+01
                81            82            83            84            85 
      1  -0.112320D+02  0.148109D+01  0.993756D+00 -0.206198D+01  0.900215D+00
      2  -0.104770D+02 -0.622460D+00 -0.107564D+01  0.352075D-01 -0.115190D+01
      3  -0.154769D+01  0.534063D+01  0.494678D+01 -0.292042D+00  0.742391D+01
                86            87            88            89            90 
      1   0.339552D+01 -0.336695D+01 -0.677991D+00  0.192102D+00 -0.289258D+00
      2  -0.178970D+01 -0.626114D+00 -0.104773D+01 -0.652396D+00 -0.744219D+00
      3   0.117650D+02  0.507115D+00 -0.853207D+00  0.241200D+00  0.152191D+01
                91            92            93            94            95 
      1   0.314181D+01  0.200171D+00 -0.190524D+01 -0.439888D+00  0.678711D+00
      2  -0.214083D+01 -0.403371D+00  0.430120D+01  0.336001D+00 -0.612749D+00
      3   0.108946D+02 -0.292938D+01 -0.172332D+01 -0.154927D+00  0.111817D+01
                96            97            98            99           100 
      1  -0.185881D+00 -0.889554D+00 -0.769476D-01  0.724898D+00 -0.442065D-01
      2  -0.240841D+00  0.513173D+00  0.415410D+00 -0.149053D+01  0.233839D+00
      3   0.113877D+01 -0.462634D+01  0.180077D+01  0.261914D+00  0.934544D-01
               101           102           103           104           105 
      1  -0.103938D+00  0.362220D+00 -0.144501D+01 -0.214684D+01 -0.531178D+01
      2   0.312578D+00 -0.148880D+00  0.488974D+00  0.280476D+01  0.439104D+01
      3   0.856363D-02 -0.236935D+00  0.180880D+01 -0.362974D+01 -0.144038D+01
               106           107           108           109           110 
      1  -0.135408D+01 -0.272088D+01 -0.664995D+01 -0.377887D+01 -0.216929D+01
      2  -0.947884D+00  0.441625D+01  0.545147D+01  0.699182D+01  0.266661D+01
      3   0.129877D+01 -0.388721D+01 -0.356761D+01  0.140164D+02  0.752447D+01
               111           112           113           114           115 
      1  -0.139535D+01 -0.252374D+01 -0.271734D+00 -0.201611D+01 -0.410268D+00
      2  -0.168073D+01  0.245431D+01  0.157089D+01 -0.202296D+00 -0.259889D+01
      3   0.135687D+01  0.928622D+01  0.400122D+01  0.366572D+00  0.440743D+00
               116           117 
      1   0.394907D+00  0.975661D+00
      2  -0.997842D+00 -0.757555D+00
      3   0.171719D+00  0.381406D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.256378D+02  0.164379D+02 -0.376817D+01  0.150398D+02  0.108260D+02
      2   0.509931D+01 -0.155557D+02  0.544960D+00 -0.137566D+02 -0.149986D+02
      3   0.205385D+02 -0.882187D+00  0.322321D+01 -0.128324D+01  0.417258D+01
      4   0.205700D+02 -0.741320D+00  0.650252D+01  0.433451D+01 -0.494764D+01
      5  -0.339229D+01  0.150014D+01  0.275798D+01  0.209571D+01 -0.557474D+01
      6   0.453677D+01 -0.423698D+01 -0.102593D+01 -0.481749D+01  0.321027D+01
                 6             7             8             9            10 
      1  -0.223782D+01 -0.694679D+01 -0.969312D+00  0.302575D+01  0.807229D+01
      2  -0.145628D+01  0.812686D-01  0.467667D+00  0.141688D+02 -0.413900D+01
      3   0.369410D+01  0.686552D+01  0.501645D+00 -0.171946D+02 -0.393329D+01
      4  -0.473135D+01  0.101648D+02 -0.668957D+01 -0.866523D+01 -0.693834D+00
      5  -0.656923D+01  0.269333D+01 -0.685481D+01  0.124491D+02 -0.329181D+00
      6   0.770978D+01 -0.308796D+01  0.638961D+01 -0.519346D+01 -0.752998D+00
                11            12            13            14            15 
      1   0.268223D+01 -0.387428D+01 -0.635308D+01  0.343770D+01 -0.597032D+01
      2  -0.461783D+01  0.271875D+01  0.361801D+01 -0.385016D+01 -0.945702D+00
      3   0.193560D+01  0.115553D+01  0.273506D+01  0.412469D+00  0.691602D+01
      4  -0.354600D+01 -0.303670D+01 -0.130800D+02 -0.182156D+01  0.106284D+01
      5  -0.143637D+01 -0.460274D+00 -0.608944D+01  0.700708D+00  0.175689D+01
      6   0.398575D+01 -0.273189D+01 -0.226566D+00 -0.207047D+00 -0.121174D+02
                16            17            18            19            20 
      1   0.413287D+01 -0.230102D+01  0.797148D+01 -0.166131D+02 -0.331464D+01
      2   0.958643D+00 -0.716415D+01  0.506240D+01  0.770763D+01 -0.939356D+00
      3  -0.509151D+01  0.946517D+01 -0.130339D+02  0.890546D+01  0.425400D+01
      4  -0.481599D+01  0.572380D+01  0.878583D+01 -0.162399D+02 -0.179572D+02
      5  -0.427846D+00  0.622617D+01 -0.768965D+01  0.615136D+01  0.492015D+01
      6   0.368460D+01 -0.295995D+01  0.745034D+01 -0.433045D+00  0.122266D+00
                21            22            23            24            25 
      1   0.323001D+01 -0.157214D+02 -0.299122D+01 -0.134165D+01  0.455326D+01
      2  -0.186748D+01  0.103246D+02 -0.577232D+01 -0.610198D+01 -0.274590D+01
      3  -0.136253D+01  0.539675D+01  0.876353D+01  0.744362D+01 -0.180736D+01
      4   0.470501D+01 -0.160435D+02 -0.669818D+01 -0.148055D+01  0.825958D+01
      5  -0.117937D+02  0.848060D+01 -0.504764D+00 -0.548085D+01 -0.208933D+01
      6  -0.235355D+01 -0.775230D+00  0.449993D+01 -0.569685D+01  0.100390D+01
                26            27            28            29            30 
      1  -0.144701D+01 -0.585105D+01  0.395981D+02  0.100639D+02 -0.406217D+01
      2   0.589004D+01 -0.559512D+00 -0.202102D+02 -0.183372D+00  0.513418D+01
      3  -0.444302D+01  0.641056D+01 -0.193879D+02 -0.988054D+01 -0.107201D+01
      4  -0.433265D+01 -0.224236D+01  0.261890D+02  0.245508D+02 -0.447616D+01
      5  -0.179051D+00 -0.523918D+00 -0.113792D+02 -0.478174D+01  0.170824D+02
      6   0.461272D+01  0.622720D+01 -0.108702D+01 -0.136793D+01  0.546540D+01
                31            32            33            34            35 
      1   0.138339D+02  0.269903D+01  0.610504D+00 -0.469352D+01  0.941198D+00
      2  -0.348987D+01  0.105639D+02  0.151666D+01  0.414990D+01 -0.871954D-01
      3  -0.103440D+02 -0.132629D+02 -0.212717D+01  0.543626D+00 -0.854003D+00
      4   0.271807D+02  0.272762D+02 -0.412501D+01 -0.398189D+01 -0.298496D+01
      5  -0.456261D+01 -0.486707D+01  0.968079D+01  0.164372D+02  0.802902D+01
      6  -0.251652D+01 -0.236875D+01  0.875577D+01  0.450421D+01  0.698504D+01
                36            37            38            39            40 
      1   0.341401D+01 -0.167403D+02 -0.472650D+01  0.853575D+01  0.112843D+01
      2  -0.670419D+01  0.101945D+02  0.629604D+01 -0.701627D+01  0.225798D+01
      3   0.329017D+01  0.654576D+01 -0.156954D+01 -0.151948D+01 -0.338641D+01
      4   0.870692D+01 -0.814664D+01  0.776549D+01 -0.773573D+00  0.113460D+02
      5  -0.935506D+01  0.550829D+01 -0.263422D+01  0.616960D+01 -0.179818D+01
      6  -0.384237D+01  0.215854D+01 -0.346885D+01  0.180383D+01 -0.973117D+00
                41            42            43            44            45 
      1  -0.437454D+01  0.339717D+01  0.803983D+01  0.263416D+01  0.387063D+01
      2   0.148157D+02 -0.251339D+01 -0.781195D+01 -0.105348D+01 -0.676916D+01
      3  -0.104412D+02 -0.883777D+00 -0.227888D+00 -0.158068D+01  0.289853D+01
      4   0.992080D+01 -0.343378D+01 -0.933768D+00 -0.873844D+01 -0.559518D+01
      5  -0.378207D+01 -0.515224D+01  0.432059D+01 -0.698932D+01 -0.504672D+01
      6  -0.899976D+01  0.278311D+00 -0.154796D+01 -0.586593D+01 -0.117278D+02
                46            47            48            49            50 
      1   0.140935D+02  0.376264D+00 -0.415156D+00  0.411318D+01 -0.527190D+01
      2  -0.769209D+01 -0.475877D+01 -0.244706D+01 -0.695835D+01  0.133140D+02
      3  -0.640140D+01  0.438251D+01  0.286221D+01  0.284517D+01 -0.804213D+01
      4  -0.171796D+02  0.157410D+02 -0.562366D+01  0.107018D+02 -0.154214D+02
      5   0.510769D+01 -0.405196D+01  0.109799D+02 -0.235394D+01  0.436180D+01
      6  -0.336602D+01  0.285099D+01 -0.523765D+01  0.157851D+01 -0.440099D+01
                51            52            53            54            55 
      1   0.303085D+01 -0.180575D+01  0.339851D+01 -0.434363D+01 -0.128378D+00
      2   0.483044D+00  0.695160D-01 -0.236928D+01 -0.470974D+01 -0.230982D+01
      3  -0.351389D+01  0.173624D+01 -0.102923D+01  0.905337D+01  0.243819D+01
      4   0.301044D+01 -0.319702D+01  0.461012D+01 -0.688717D+01 -0.850311D+00
      5  -0.293986D+01  0.933182D+01 -0.581692D+01  0.948971D+01  0.149403D+01
      6   0.101313D+02 -0.363902D+01  0.824194D+01 -0.727532D+01 -0.202756D+01
                56            57            58            59            60 
      1  -0.688898D+00  0.191934D+01  0.108175D+01 -0.589559D+01  0.515206D+01
      2   0.623179D+00 -0.973090D+00 -0.398197D+00  0.170933D+01  0.275733D+00
      3   0.657198D-01 -0.946247D+00 -0.683554D+00  0.418626D+01 -0.542779D+01
      4   0.313922D+01 -0.124368D+01  0.366144D+01 -0.335909D+01  0.222969D+01
      5  -0.141801D+01  0.628545D+01 -0.675529D+00  0.211643D+01 -0.313459D+01
      6  -0.509895D+00  0.214251D+00  0.476537D+00 -0.613779D+01  0.100840D+02
                61            62            63            64            65 
      1  -0.358049D+00  0.527795D+01 -0.174165D+02  0.431590D+02 -0.829122D+01
      2  -0.611848D+00  0.242655D+01 -0.135493D+02 -0.160723D+02 -0.939449D+00
      3   0.969897D+00 -0.770450D+01  0.309658D+02 -0.270866D+02  0.923066D+01
      4  -0.815561D+00  0.356266D+01 -0.385835D+01 -0.307593D+02  0.165469D+02
      5   0.493235D+01 -0.285429D+01  0.107568D+02 -0.114544D+01  0.694113D+00
      6  -0.146892D+01  0.821483D+01 -0.132083D+02 -0.187082D+01 -0.325423D+00
                66            67            68            69            70 
      1   0.419981D+01 -0.403420D+01  0.266344D+01 -0.199830D+00  0.799845D+01
      2  -0.785894D+00 -0.152437D+01  0.361128D+01 -0.244053D+00 -0.276458D+01
      3  -0.341391D+01  0.555857D+01 -0.627471D+01  0.443883D+00 -0.523387D+01
      4  -0.226005D+01  0.118832D+02 -0.781964D+01  0.167665D+01 -0.592838D+01
      5   0.748139D+01  0.162344D+00  0.825342D+00 -0.467320D+00  0.672980D+01
      6  -0.455228D+01  0.549471D+00 -0.776320D-01  0.152888D+01 -0.351732D+01
                71            72            73            74            75 
      1  -0.330671D+00  0.358378D+01  0.293697D+01 -0.168446D+01 -0.229489D+01
      2  -0.141464D+01 -0.370242D+01 -0.310499D+01  0.146702D+01  0.149944D+01
      3   0.174531D+01  0.118638D+00  0.168018D+00  0.217439D+00  0.795452D+00
      4   0.445347D+01 -0.289057D+01 -0.224538D+01  0.915196D+00  0.508462D+00
      5  -0.113585D+01  0.216752D+01 -0.178344D+01 -0.603170D+00  0.475229D+01
      6   0.166590D+01 -0.119473D+01  0.443097D+00  0.810048D+00  0.380354D-01
                76            77            78            79            80 
      1  -0.827618D-01 -0.249344D+01  0.702890D+00 -0.278425D+01 -0.139485D+01
      2   0.677666D-01  0.142981D+00  0.493064D+01  0.314211D+01  0.468185D+01
      3   0.149952D-01  0.235046D+01 -0.563353D+01 -0.357862D+00 -0.328700D+01
      4   0.163298D+00  0.232486D+01 -0.202377D+01  0.224758D+01 -0.420418D+01
      5  -0.237657D+01 -0.162395D+01  0.472106D+01  0.710091D+01  0.980224D+00
      6   0.206722D+00 -0.114360D+01  0.198868D+01 -0.102851D+01  0.436553D+01
                81            82            83            84            85 
      1  -0.121326D+02 -0.216135D+01 -0.101748D+02 -0.739715D+00 -0.867505D+01
      2  -0.180514D+02  0.570640D+01  0.145514D+02  0.202489D+00  0.987910D+01
      3   0.301840D+02 -0.354505D+01 -0.437660D+01  0.537226D+00 -0.120405D+01
      4   0.159114D+01  0.243641D+01  0.207729D+01 -0.790427D+00  0.511657D+01
      5  -0.199090D+02  0.177958D+01  0.113207D+01 -0.355798D+00  0.203108D+01
      6   0.130238D+02  0.275398D+00  0.270007D+01  0.331989D+01  0.162027D+01
                86            87            88            89            90 
      1  -0.236474D+02 -0.133220D+01  0.505581D+00  0.404423D-01 -0.368560D+01
      2   0.384507D+02  0.571419D+00 -0.538768D-01 -0.112330D+01  0.195700D+01
      3  -0.148033D+02  0.760785D+00 -0.451705D+00  0.108285D+01  0.172860D+01
      4  -0.603132D+01 -0.122967D-01 -0.147048D+01  0.921951D+00  0.659969D+00
      5   0.197066D+01 -0.130681D+01  0.928394D+00 -0.201196D+00 -0.115743D+01
      6   0.543363D+01  0.624788D+01  0.209781D+01  0.563552D+01  0.533545D+00
                91            92            93            94            95 
      1   0.396555D+02  0.400950D+01 -0.603718D+01 -0.772636D+00  0.160568D+01
      2  -0.203423D+02 -0.217049D+00  0.286620D+01  0.150068D+01  0.358073D+00
      3  -0.193132D+02 -0.379245D+01  0.317097D+01 -0.728047D+00 -0.196375D+01
      4   0.179547D+02  0.872805D+01 -0.152564D+01  0.502762D+01  0.919575D+00
      5  -0.263192D+01  0.549771D+00  0.623278D+01  0.171767D+01 -0.671600D+00
      6  -0.223348D+01  0.866877D+00  0.312998D+01  0.647455D+00 -0.141487D+00
                96            97            98            99           100 
      1   0.157094D+01 -0.108632D+02  0.368441D-03  0.275625D+01  0.140331D+01
      2  -0.112270D+01  0.693876D+01 -0.669452D+00 -0.231373D+01 -0.648520D+00
      3  -0.448239D+00  0.392448D+01  0.669083D+00 -0.442515D+00 -0.754794D+00
      4  -0.232776D+00 -0.472343D+01 -0.100694D+01  0.134465D+01  0.313810D+01
      5  -0.192346D+00  0.450721D+01  0.917829D+00 -0.244270D+01  0.183944D+01
      6   0.127893D+01  0.104273D+01  0.191248D+01 -0.104035D+01  0.215082D+01
               101           102           103           104           105 
      1   0.147383D+01  0.139081D+01  0.194178D+01 -0.706356D+01 -0.451097D+01
      2  -0.101433D+00 -0.176687D-01 -0.636969D+00  0.820244D+01  0.402265D+01
      3  -0.137239D+01 -0.137314D+01 -0.130481D+01 -0.113888D+01  0.488318D+00
      4   0.427838D+01  0.308271D+01  0.593754D+01  0.100345D+02  0.671397D+01
      5   0.271593D+01  0.271564D+01  0.379247D+01  0.716558D+01  0.950657D+01
      6   0.804950D+00  0.133656D+00  0.382102D+01  0.124598D+02  0.136581D+02
               106           107           108           109           110 
      1   0.219503D+01 -0.707868D+01 -0.960170D+01 -0.703707D+01 -0.318710D+01
      2  -0.111054D+01  0.424357D+01  0.177119D+01  0.551102D+01  0.288734D+01
      3  -0.108450D+01  0.283511D+01  0.783051D+01  0.152606D+01  0.299760D+00
      4   0.497773D+01  0.988254D+01  0.861601D+01  0.805897D+01 -0.304958D+01
      5   0.528443D+01  0.102471D+02  0.124458D+02 -0.145861D+01  0.976871D+00
      6   0.343065D+01  0.153576D+02  0.173452D+02  0.220631D+01 -0.223187D+01
               111           112           113           114           115 
      1   0.159618D+01 -0.298775D+01 -0.845974D+01  0.275267D+01  0.186406D+00
      2   0.301264D+00  0.209221D+01  0.113837D+02 -0.266461D+01 -0.816811D-01
      3  -0.189745D+01  0.895536D+00 -0.292396D+01 -0.880636D-01 -0.104725D+00
      4   0.249476D+01  0.422121D+01 -0.214507D+01  0.110620D+01  0.216875D+00
      5  -0.401662D+01 -0.423604D+00 -0.116326D+00 -0.422065D+00  0.701519D+00
      6   0.179625D+01  0.169198D+00 -0.456297D+01  0.398370D+01  0.757814D+00
               116           117 
      1   0.285321D+01 -0.347821D+01
      2  -0.220390D+01  0.151264D+01
      3  -0.649306D+00  0.196557D+01
      4  -0.119780D+01  0.434342D+00
      5  -0.136854D+00 -0.142422D+01
      6   0.389293D+01 -0.353409D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.212736D+01      0.540721D+01      0.180365D+02
   x         -0.204539D+01     -0.519886D+01     -0.173415D+02
   y         -0.532799D+00     -0.135424D+01     -0.451726D+01
   z         -0.241207D+00     -0.613088D+00     -0.204504D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508228D+02      0.753117D+01      0.837955D+01
   aniso      0.122820D+02      0.182000D+01      0.202502D+01
   xx         0.553894D+02      0.820786D+01      0.913248D+01
   yx         0.207467D+01      0.307434D+00      0.342067D+00
   yy         0.536254D+02      0.794646D+01      0.884163D+01
   zx        -0.370775D+00     -0.549432D-01     -0.611326D-01
   zy        -0.208194D+01     -0.308512D+00     -0.343266D+00
   zz         0.434537D+02      0.643917D+01      0.716455D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.555766D+02      0.823560D+01      0.916334D+01
   aniso      0.130735D+02      0.193730D+01      0.215553D+01
   xx         0.604504D+02      0.895783D+01      0.996692D+01
   yx         0.223203D+01      0.330753D+00      0.368012D+00
   yy         0.584483D+02      0.866114D+01      0.963682D+01
   zx        -0.239743D+00     -0.355263D-01     -0.395283D-01
   zy        -0.243643D+01     -0.361041D+00     -0.401713D+00
   zz         0.478311D+02      0.708783D+01      0.788628D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.79452114         -2.46004239          1.55593743
     6          0.50634895         -0.77050280          1.13414793
     6          0.42959403          0.24303526         -1.58861138
     8          0.87480461         -1.05583051         -3.39401842
     7          0.50627791          1.35027491          2.92599172
     8         -0.24153940          2.67602014         -1.76390328
     1          2.21607941         -1.92159272          1.27192067
     1         -1.69942173         -3.35526120          3.41214081
     1         -3.53367694         -1.35457945          1.44456726
     1         -1.86287010         -3.93023335          0.11966351
     1         -0.42693113          0.92198369          4.53810353
     1          2.27951136          1.89426448          3.39406366
     1         -0.43128308          3.25706455         -0.00786061

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.212736D+01      0.540721D+01      0.180365D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.212736D+01      0.540721D+01      0.180365D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508228D+02      0.753117D+01      0.837955D+01
   aniso      0.122820D+02      0.182000D+01      0.202502D+01
   xx         0.433761D+02      0.642768D+01      0.715176D+01
   yx         0.369938D+00      0.548191D-01      0.609945D-01
   yy         0.531669D+02      0.787853D+01      0.876605D+01
   zx        -0.194149D+01     -0.287699D+00     -0.320109D+00
   zy         0.169820D+01      0.251647D+00      0.279995D+00
   zz         0.559254D+02      0.828729D+01      0.922085D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.555766D+02      0.823560D+01      0.916334D+01
   aniso      0.130735D+02      0.193730D+01      0.215553D+01
   xx         0.475923D+02      0.705245D+01      0.784691D+01
   yx         0.129290D+00      0.191588D-01      0.213171D-01
   yy         0.580905D+02      0.860813D+01      0.957784D+01
   zx        -0.197832D+01     -0.293157D+00     -0.326182D+00
   zy         0.174513D+01      0.258602D+00      0.287733D+00
   zz         0.610469D+02      0.904621D+01      0.100653D+02

 ----------------------------------------------------------------------
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 THE FIRST MORNING OF CREATION WROTE WHAT THE LAST DAWN OF
 RECKONING SHALL READ. -- OMAR KHAYYAM
 Job cpu time:       0 days  1 hours 13 minutes 39.4 seconds.
 Elapsed time:       0 days  0 hours  9 minutes 14.6 seconds.
 File lengths (MBytes):  RWF=    126 Int=      0 D2E=      0 Chk=      5 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:30:58 2021.
